N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-(but-1-en-2-ylamino)-2-methylbenzamide;N-[3-[[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]carbamoyl]-4-methylphenyl]naphthalene-2-carboxamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(3-chlorophenyl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[(3,5-dimethoxybenzoyl)amino]-2-methylbenzamide

C108H101ClN20O8 — CID 159387055

IUPACN-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-(but-1-en-2-ylamino)-2-methylbenzamide;N-[3-[[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]carbamoyl]-4-methylphenyl]naphthalene-2-carboxamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(3-chlorophenyl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[(3,5-dimethoxybenzoyl)amino]-2-methylbenzamide
SMILESC=C(CC)Nc1ccc(C)c(C(=O)Nc2cnc(Cc3cccc(N)c3)nc2)c1.C=C(Nc1ccc(C)c(C(=O)Nc2cnc(Cc3cccc(N)c3)nc2)c1)c1cccc(Cl)c1.COc1cc(OC)cc(C(=O)Nc2ccc(C)c(C(=O)Nc3cnc(Cc4cccc(N)c4)nc3)c2)c1.Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1C(=O)Nc1cnc(Cc2cccc(N)c2)nc1
InChIInChI=1S/C30H25N5O2.C28H27N5O4.C27H24ClN5O.C23H25N5O/c1-19-9-12-25(34-29(36)23-11-10-21-6-2-3-7-22(21)15-23)16-27(19)30(37)35-26-17-32-28(33-18-26)14-20-5-4-8-24(31)13-20;1-17-7-8-21(32-27(34)19-11-23(36-2)14-24(12-19)37-3)13-25(17)28(35)33-22-15-30-26(31-16-22)10-18-5-4-6-20(29)9-18;1-17-9-10-23(32-18(2)20-6-4-7-21(28)13-20)14-25(17)27(34)33-24-15-30-26(31-16-24)12-19-5-3-8-22(29)11-19;1-4-16(3)27-19-9-8-15(2)21(12-19)23(29)28-20-13-25-22(26-14-20)11-17-6-5-7-18(24)10-17/h2-13,15-18H,14,31H2,1H3,(H,34,36)(H,35,37);4-9,11-16H,10,29H2,1-3H3,(H,32,34)(H,33,35);3-11,13-16,32H,2,12,29H2,1H3,(H,33,34);5-10,12-14,27H,3-4,11,24H2,1-2H3,(H,28,29)
InChIKeyLLQAAWQYCIFCAV-UHFFFAOYSA-N
MW1842.58 g/mol
LogP20.59
Rot. Bonds28

About N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-(but-1-en-2-ylamino)-2-methylbenzamide;N-[3-[[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]carbamoyl]-4-methylphenyl]naphthalene-2-carboxamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(3-chlorophenyl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[(3,5-dimethoxybenzoyl)amino]-2-methylbenzamide

N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-(but-1-en-2-ylamino)-2-methylbenzamide;N-[3-[[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]carbamoyl]-4-methylphenyl]naphthalene-2-carboxamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(3-chlorophenyl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[(3,5-dimethoxybenzoyl)amino]-2-methylbenzamide (PubChem CID 159387055) has the molecular formula C108H101ClN20O8 and a molecular weight of 1842.58 g/mol. Its IUPAC name is N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-(but-1-en-2-ylamino)-2-methylbenzamide;N-[3-[[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]carbamoyl]-4-methylphenyl]naphthalene-2-carboxamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(3-chlorophenyl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[(3,5-dimethoxybenzoyl)amino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-(but-1-en-2-ylamino)-2-methylbenzamide;N-[3-[[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]carbamoyl]-4-methylphenyl]naphthalene-2-carboxamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(3-chlorophenyl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[(3,5-dimethoxybenzoyl)amino]-2-methylbenzamide
PubChem CID159387055
Molecular FormulaC108H101ClN20O8
Molecular Weight1842.58 g/mol
Exact Mass1840.78
IUPAC NameN-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-(but-1-en-2-ylamino)-2-methylbenzamide;N-[3-[[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]carbamoyl]-4-methylphenyl]naphthalene-2-carboxamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(3-chlorophenyl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[(3,5-dimethoxybenzoyl)amino]-2-methylbenzamide
SMILESC=C(CC)Nc1ccc(C)c(C(=O)Nc2cnc(Cc3cccc(N)c3)nc2)c1.C=C(Nc1ccc(C)c(C(=O)Nc2cnc(Cc3cccc(N)c3)nc2)c1)c1cccc(Cl)c1.COc1cc(OC)cc(C(=O)Nc2ccc(C)c(C(=O)Nc3cnc(Cc4cccc(N)c4)nc3)c2)c1.Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1C(=O)Nc1cnc(Cc2cccc(N)c2)nc1
InChIInChI=1S/C30H25N5O2.C28H27N5O4.C27H24ClN5O.C23H25N5O/c1-19-9-12-25(34-29(36)23-11-10-21-6-2-3-7-22(21)15-23)16-27(19)30(37)35-26-17-32-28(33-18-26)14-20-5-4-8-24(31)13-20;1-17-7-8-21(32-27(34)19-11-23(36-2)14-24(12-19)37-3)13-25(17)28(35)33-22-15-30-26(31-16-22)10-18-5-4-6-20(29)9-18;1-17-9-10-23(32-18(2)20-6-4-7-21(28)13-20)14-25(17)27(34)33-24-15-30-26(31-16-24)12-19-5-3-8-22(29)11-19;1-4-16(3)27-19-9-8-15(2)21(12-19)23(29)28-20-13-25-22(26-14-20)11-17-6-5-7-18(24)10-17/h2-13,15-18H,14,31H2,1H3,(H,34,36)(H,35,37);4-9,11-16H,10,29H2,1-3H3,(H,32,34)(H,33,35);3-11,13-16,32H,2,12,29H2,1H3,(H,33,34);5-10,12-14,27H,3-4,11,24H2,1-2H3,(H,28,29)
InChIKeyLLQAAWQYCIFCAV-UHFFFAOYSA-N
XLogP20.59
TPSA424.32 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds28
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001842.58
LogP ≤ 520.59
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-(but-1-en-2-ylamino)-2-methylbenzamide;N-[3-[[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]carbamoyl]-4-methylphenyl]naphthalene-2-carboxamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(3-chlorophenyl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[(3,5-dimethoxybenzoyl)amino]-2-methylbenzamide with MolForge

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Related Compounds

N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-(but-1-en-2-ylamino)-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[(3,5-dimethoxybenzoyl)amino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[(3,5-dimethylbenzoyl)amino]-2-methylbenzamide
CID 158600141
N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenylamino]-2-methylbenzamide
CID 158381201
N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-(3-methylphenyl)ethenylamino]benzamide;5-[1-(3-chlorophenyl)ethenylamino]-2-methyl-N-[2-[[3-(prop-2-enoylamino)phenyl]methyl]pyrimidin-5-yl]benzamide;5-(1-cyclopropylethenylamino)-2-methyl-N-[2-[[3-(prop-2-enoylamino)phenyl]methyl]pyrimidin-5-yl]benzamide;5-[1-(3-fluorophenyl)ethenylamino]-2-methyl-N-[2-[[3-(prop-2-enoylamino)phenyl]methyl]pyrimidin-5-yl]benzamide
CID 158731901
N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide
CID 1366118
N-(6-amino-5-chloro-3-pyridinyl)-5-[[3-(2-cyanobutan-2-yl)benzoyl]amino]-2-methylbenzamide
CID 68844750
5-[[3-(2-cyanopropyl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide
CID 69173903
N-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]naphthalene-2-carboxamide
CID 18419514
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-[5-(methoxymethyl)-3-pyridinyl]-2-methylbenzamide
CID 68845465
N-[2-(3-aminoanilino)pyrimidin-5-yl]-5-[[3-(dimethylamino)benzoyl]amino]-2-methylbenzamide
CID 71556057
N-(3-amino-4-methylphenyl)-3,5-dimethoxybenzamide
CID 24709261
N-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113011445
N-(4-methoxyphenyl)-3-(naphthalen-2-yloxymethyl)benzamide
CID 1310649

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-(but-1-en-2-ylamino)-2-methylbenzamide;N-[3-[[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]carbamoyl]-4-methylphenyl]naphthalene-2-carboxamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(3-chlorophenyl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[(3,5-dimethoxybenzoyl)amino]-2-methylbenzamide?
The IUPAC name of N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-(but-1-en-2-ylamino)-2-methylbenzamide;N-[3-[[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]carbamoyl]-4-methylphenyl]naphthalene-2-carboxamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(3-chlorophenyl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[(3,5-dimethoxybenzoyl)amino]-2-methylbenzamide (CID 159387055) is N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-(but-1-en-2-ylamino)-2-methylbenzamide;N-[3-[[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]carbamoyl]-4-methylphenyl]naphthalene-2-carboxamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(3-chlorophenyl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[(3,5-dimethoxybenzoyl)amino]-2-methylbenzamide.
What is the SMILES notation for N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-(but-1-en-2-ylamino)-2-methylbenzamide;N-[3-[[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]carbamoyl]-4-methylphenyl]naphthalene-2-carboxamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(3-chlorophenyl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[(3,5-dimethoxybenzoyl)amino]-2-methylbenzamide?
The canonical SMILES for N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-(but-1-en-2-ylamino)-2-methylbenzamide;N-[3-[[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]carbamoyl]-4-methylphenyl]naphthalene-2-carboxamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(3-chlorophenyl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[(3,5-dimethoxybenzoyl)amino]-2-methylbenzamide is C=C(CC)Nc1ccc(C)c(C(=O)Nc2cnc(Cc3cccc(N)c3)nc2)c1.C=C(Nc1ccc(C)c(C(=O)Nc2cnc(Cc3cccc(N)c3)nc2)c1)c1cccc(Cl)c1.COc1cc(OC)cc(C(=O)Nc2ccc(C)c(C(=O)Nc3cnc(Cc4cccc(N)c4)nc3)c2)c1.Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1C(=O)Nc1cnc(Cc2cccc(N)c2)nc1.
What is the InChIKey of N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-(but-1-en-2-ylamino)-2-methylbenzamide;N-[3-[[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]carbamoyl]-4-methylphenyl]naphthalene-2-carboxamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(3-chlorophenyl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[(3,5-dimethoxybenzoyl)amino]-2-methylbenzamide?
The InChIKey is LLQAAWQYCIFCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O2.C28H27N5O4.C27H24ClN5O.C23H25N5O/c1-19-9-12-25(34-29(36)23-11-10-21-6-2-3-7-22(21)15-23)16-27(19)30(37)35-26-17-32-28(33-18-26)14-20-5-4-8-24(31)13-20;1-17-7-8-21(32-27(34)19-11-23(36-2)14-24(12-19)37-3)13-25(17)28(35)33-22-15-30-26(31-16-22)10-18-5-4-6-20(29)9-18;1-17-9-10-23(32-18(2)20-6-4-7-21(28)13-20)14-25(17)27(34)33-24-15-30-26(31-16-24)12-19-5-3-8-22(29)11-19;1-4-16(3)27-19-9-8-15(2)21(12-19)23(29)28-20-13-25-22(26-14-20)11-17-6-5-7-18(24)10-17/h2-13,15-18H,14,31H2,1H3,(H,34,36)(H,35,37);4-9,11-16H,10,29H2,1-3H3,(H,32,34)(H,33,35);3-11,13-16,32H,2,12,29H2,1H3,(H,33,34);5-10,12-14,27H,3-4,11,24H2,1-2H3,(H,28,29).
What are the key properties of N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-(but-1-en-2-ylamino)-2-methylbenzamide;N-[3-[[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]carbamoyl]-4-methylphenyl]naphthalene-2-carboxamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(3-chlorophenyl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[(3,5-dimethoxybenzoyl)amino]-2-methylbenzamide?
N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-(but-1-en-2-ylamino)-2-methylbenzamide;N-[3-[[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]carbamoyl]-4-methylphenyl]naphthalene-2-carboxamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(3-chlorophenyl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[(3,5-dimethoxybenzoyl)amino]-2-methylbenzamide has a molecular weight of 1842.58 g/mol, XLogP of 20.59, 28 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-(but-1-en-2-ylamino)-2-methylbenzamide;N-[3-[[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]carbamoyl]-4-methylphenyl]naphthalene-2-carboxamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(3-chlorophenyl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[(3,5-dimethoxybenzoyl)amino]-2-methylbenzamide is sourced from PubChem (CID 159387055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).