N-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-4-methyl-2-pyridinyl)benzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[6-[(3-methylbenzoyl)amino]-2-pyridinyl]benzamide;N-methyl-N-[4-methyl-6-[methyl(octanoyl)amino]-2-pyridinyl]octanamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea

C155H163N31O20S2 — CID 159714666

IUPACN-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-4-methyl-2-pyridinyl)benzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[6-[(3-methylbenzoyl)amino]-2-pyridinyl]benzamide;N-methyl-N-[4-methyl-6-[methyl(octanoyl)amino]-2-pyridinyl]octanamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea
SMILESCCCCCCCC(=O)N(C)c1cc(C)cc(N(C)C(=O)CCCCCCC)n1.CCNc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2cccc(OC)c2)n1.CN(C(=O)Nc1ccnc(NC(=O)N(C)c2ccccc2)n1)c1ccccc1.COc1cccc(C(=O)Nc2nc(N)cc(OC)n2)c1.Cc1cc(NC(=O)c2ccccc2)nc(NC(=O)c2ccccc2)c1.Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(C)c3)n2)c1.O=C(Nc1cccc(NC(=O)c2ccccc2)n1)c1ccccc1.O=S(=O)(Nc1ccnc(NS(=O)(=O)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C24H41N3O2.C22H23N5O3.C21H19N3O2.C20H20N6O2.C20H17N3O2.C19H15N3O2.C16H14N4O4S2.C13H14N4O3/c1-6-8-10-12-14-16-23(28)26(4)21-18-20(3)19-22(25-21)27(5)24(29)17-15-13-11-9-7-2;1-4-23-18-13-19(24-20(28)15-8-5-7-14(2)11-15)26-22(25-18)27-21(29)16-9-6-10-17(12-16)30-3;1-14-6-3-8-16(12-14)20(25)23-18-10-5-11-19(22-18)24-21(26)17-9-4-7-15(2)13-17;1-25(15-9-5-3-6-10-15)19(27)23-17-13-14-21-18(22-17)24-20(28)26(2)16-11-7-4-8-12-16;1-14-12-17(22-19(24)15-8-4-2-5-9-15)21-18(13-14)23-20(25)16-10-6-3-7-11-16;23-18(14-8-3-1-4-9-14)21-16-12-7-13-17(20-16)22-19(24)15-10-5-2-6-11-15;21-25(22,13-7-3-1-4-8-13)19-15-11-12-17-16(18-15)20-26(23,24)14-9-5-2-6-10-14;1-19-9-5-3-4-8(6-9)12(18)17-13-15-10(14)7-11(16-13)20-2/h18-19H,6-17H2,1-5H3;5-13H,4H2,1-3H3,(H3,23,24,25,26,27,28,29);3-13H,1-2H3,(H2,22,23,24,25,26);3-14H,1-2H3,(H2,21,22,23,24,27,28);2-13H,1H3,(H2,21,22,23,24,25);1-13H,(H2,20,21,22,23,24);1-12H,(H2,17,18,19,20);3-7H,1-2H3,(H3,14,15,16,17,18)
InChIKeyMZGWPKFCSNZDPW-UHFFFAOYSA-N
MW2844.34 g/mol
LogP28.67
Rot. Bonds47

About N-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-4-methyl-2-pyridinyl)benzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[6-[(3-methylbenzoyl)amino]-2-pyridinyl]benzamide;N-methyl-N-[4-methyl-6-[methyl(octanoyl)amino]-2-pyridinyl]octanamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea

N-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-4-methyl-2-pyridinyl)benzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[6-[(3-methylbenzoyl)amino]-2-pyridinyl]benzamide;N-methyl-N-[4-methyl-6-[methyl(octanoyl)amino]-2-pyridinyl]octanamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea (PubChem CID 159714666) has the molecular formula C155H163N31O20S2 and a molecular weight of 2844.34 g/mol. Its IUPAC name is N-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-4-methyl-2-pyridinyl)benzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[6-[(3-methylbenzoyl)amino]-2-pyridinyl]benzamide;N-methyl-N-[4-methyl-6-[methyl(octanoyl)amino]-2-pyridinyl]octanamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea.

Molecular Properties

Compound NameN-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-4-methyl-2-pyridinyl)benzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[6-[(3-methylbenzoyl)amino]-2-pyridinyl]benzamide;N-methyl-N-[4-methyl-6-[methyl(octanoyl)amino]-2-pyridinyl]octanamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea
PubChem CID159714666
Molecular FormulaC155H163N31O20S2
Molecular Weight2844.34 g/mol
Exact Mass2842.21
IUPAC NameN-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-4-methyl-2-pyridinyl)benzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[6-[(3-methylbenzoyl)amino]-2-pyridinyl]benzamide;N-methyl-N-[4-methyl-6-[methyl(octanoyl)amino]-2-pyridinyl]octanamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea
SMILESCCCCCCCC(=O)N(C)c1cc(C)cc(N(C)C(=O)CCCCCCC)n1.CCNc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2cccc(OC)c2)n1.CN(C(=O)Nc1ccnc(NC(=O)N(C)c2ccccc2)n1)c1ccccc1.COc1cccc(C(=O)Nc2nc(N)cc(OC)n2)c1.Cc1cc(NC(=O)c2ccccc2)nc(NC(=O)c2ccccc2)c1.Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(C)c3)n2)c1.O=C(Nc1cccc(NC(=O)c2ccccc2)n1)c1ccccc1.O=S(=O)(Nc1ccnc(NS(=O)(=O)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C24H41N3O2.C22H23N5O3.C21H19N3O2.C20H20N6O2.C20H17N3O2.C19H15N3O2.C16H14N4O4S2.C13H14N4O3/c1-6-8-10-12-14-16-23(28)26(4)21-18-20(3)19-22(25-21)27(5)24(29)17-15-13-11-9-7-2;1-4-23-18-13-19(24-20(28)15-8-5-7-14(2)11-15)26-22(25-18)27-21(29)16-9-6-10-17(12-16)30-3;1-14-6-3-8-16(12-14)20(25)23-18-10-5-11-19(22-18)24-21(26)17-9-4-7-15(2)13-17;1-25(15-9-5-3-6-10-15)19(27)23-17-13-14-21-18(22-17)24-20(28)26(2)16-11-7-4-8-12-16;1-14-12-17(22-19(24)15-8-4-2-5-9-15)21-18(13-14)23-20(25)16-10-6-3-7-11-16;23-18(14-8-3-1-4-9-14)21-16-12-7-13-17(20-16)22-19(24)15-10-5-2-6-11-15;21-25(22,13-7-3-1-4-8-13)19-15-11-12-17-16(18-15)20-26(23,24)14-9-5-2-6-10-14;1-19-9-5-3-4-8(6-9)12(18)17-13-15-10(14)7-11(16-13)20-2/h18-19H,6-17H2,1-5H3;5-13H,4H2,1-3H3,(H3,23,24,25,26,27,28,29);3-13H,1-2H3,(H2,22,23,24,25,26);3-14H,1-2H3,(H2,21,22,23,24,27,28);2-13H,1H3,(H2,21,22,23,24,25);1-13H,(H2,20,21,22,23,24);1-12H,(H2,17,18,19,20);3-7H,1-2H3,(H3,14,15,16,17,18)
InChIKeyMZGWPKFCSNZDPW-UHFFFAOYSA-N
XLogP28.67
TPSA679.96 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds47
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002844.34
LogP ≤ 528.67
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-4-methyl-2-pyridinyl)benzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[6-[(3-methylbenzoyl)amino]-2-pyridinyl]benzamide;N-methyl-N-[4-methyl-6-[methyl(octanoyl)amino]-2-pyridinyl]octanamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-4-methyl-2-pyridinyl)benzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[6-[(3-methylbenzoyl)amino]-2-pyridinyl]benzamide;N-methyl-N-[4-methyl-6-[methyl(octanoyl)amino]-2-pyridinyl]octanamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea?
The IUPAC name of N-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-4-methyl-2-pyridinyl)benzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[6-[(3-methylbenzoyl)amino]-2-pyridinyl]benzamide;N-methyl-N-[4-methyl-6-[methyl(octanoyl)amino]-2-pyridinyl]octanamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea (CID 159714666) is N-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-4-methyl-2-pyridinyl)benzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[6-[(3-methylbenzoyl)amino]-2-pyridinyl]benzamide;N-methyl-N-[4-methyl-6-[methyl(octanoyl)amino]-2-pyridinyl]octanamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea.
What is the SMILES notation for N-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-4-methyl-2-pyridinyl)benzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[6-[(3-methylbenzoyl)amino]-2-pyridinyl]benzamide;N-methyl-N-[4-methyl-6-[methyl(octanoyl)amino]-2-pyridinyl]octanamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea?
The canonical SMILES for N-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-4-methyl-2-pyridinyl)benzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[6-[(3-methylbenzoyl)amino]-2-pyridinyl]benzamide;N-methyl-N-[4-methyl-6-[methyl(octanoyl)amino]-2-pyridinyl]octanamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea is CCCCCCCC(=O)N(C)c1cc(C)cc(N(C)C(=O)CCCCCCC)n1.CCNc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2cccc(OC)c2)n1.CN(C(=O)Nc1ccnc(NC(=O)N(C)c2ccccc2)n1)c1ccccc1.COc1cccc(C(=O)Nc2nc(N)cc(OC)n2)c1.Cc1cc(NC(=O)c2ccccc2)nc(NC(=O)c2ccccc2)c1.Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(C)c3)n2)c1.O=C(Nc1cccc(NC(=O)c2ccccc2)n1)c1ccccc1.O=S(=O)(Nc1ccnc(NS(=O)(=O)c2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-4-methyl-2-pyridinyl)benzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[6-[(3-methylbenzoyl)amino]-2-pyridinyl]benzamide;N-methyl-N-[4-methyl-6-[methyl(octanoyl)amino]-2-pyridinyl]octanamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea?
The InChIKey is MZGWPKFCSNZDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O2.C22H23N5O3.C21H19N3O2.C20H20N6O2.C20H17N3O2.C19H15N3O2.C16H14N4O4S2.C13H14N4O3/c1-6-8-10-12-14-16-23(28)26(4)21-18-20(3)19-22(25-21)27(5)24(29)17-15-13-11-9-7-2;1-4-23-18-13-19(24-20(28)15-8-5-7-14(2)11-15)26-22(25-18)27-21(29)16-9-6-10-17(12-16)30-3;1-14-6-3-8-16(12-14)20(25)23-18-10-5-11-19(22-18)24-21(26)17-9-4-7-15(2)13-17;1-25(15-9-5-3-6-10-15)19(27)23-17-13-14-21-18(22-17)24-20(28)26(2)16-11-7-4-8-12-16;1-14-12-17(22-19(24)15-8-4-2-5-9-15)21-18(13-14)23-20(25)16-10-6-3-7-11-16;23-18(14-8-3-1-4-9-14)21-16-12-7-13-17(20-16)22-19(24)15-10-5-2-6-11-15;21-25(22,13-7-3-1-4-8-13)19-15-11-12-17-16(18-15)20-26(23,24)14-9-5-2-6-10-14;1-19-9-5-3-4-8(6-9)12(18)17-13-15-10(14)7-11(16-13)20-2/h18-19H,6-17H2,1-5H3;5-13H,4H2,1-3H3,(H3,23,24,25,26,27,28,29);3-13H,1-2H3,(H2,22,23,24,25,26);3-14H,1-2H3,(H2,21,22,23,24,27,28);2-13H,1H3,(H2,21,22,23,24,25);1-13H,(H2,20,21,22,23,24);1-12H,(H2,17,18,19,20);3-7H,1-2H3,(H3,14,15,16,17,18).
What are the key properties of N-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-4-methyl-2-pyridinyl)benzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[6-[(3-methylbenzoyl)amino]-2-pyridinyl]benzamide;N-methyl-N-[4-methyl-6-[methyl(octanoyl)amino]-2-pyridinyl]octanamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea?
N-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-4-methyl-2-pyridinyl)benzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[6-[(3-methylbenzoyl)amino]-2-pyridinyl]benzamide;N-methyl-N-[4-methyl-6-[methyl(octanoyl)amino]-2-pyridinyl]octanamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea has a molecular weight of 2844.34 g/mol, XLogP of 28.67, 47 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-4-methyl-2-pyridinyl)benzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[6-[(3-methylbenzoyl)amino]-2-pyridinyl]benzamide;N-methyl-N-[4-methyl-6-[methyl(octanoyl)amino]-2-pyridinyl]octanamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea is sourced from PubChem (CID 159714666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).