N-[5-(5-acetamido-2-methylphenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(2-formyl-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide

C124H105F3N22O12S3 — CID 160656919

IUPACN-[5-(5-acetamido-2-methylphenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(2-formyl-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide
SMILESCC(=O)Nc1ccc(C)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1ccc(C=O)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1ccccc1C(=O)Nc1ccc(-c2csc3ccccc23)c(N)n1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cc(C(F)(F)F)nc4s3)c(N)n2)cc1.Cn1c(-c2ccc(NC(=O)c3ccccc3O)nc2N)cc2ccccc21.Nc1nc(NC(=O)c2ccccc2O)ccc1-c1csc2ccccc12
InChIInChI=1S/C22H22N4O2.C21H18N4O2.C21H19N3O3.C21H17N3O2S.C20H15N3O2S.C19H14F3N5OS/c1-13-4-7-16(8-5-13)22(28)26-20-11-10-18(21(23)25-20)19-12-17(24-15(3)27)9-6-14(19)2;1-25-16-8-4-2-6-13(16)12-17(25)14-10-11-19(23-20(14)22)24-21(27)15-7-3-5-9-18(15)26;1-13-3-5-14(6-4-13)21(26)24-19-10-9-17(20(22)23-19)18-11-16(27-2)8-7-15(18)12-25;1-26-17-8-4-2-7-15(17)21(25)24-19-11-10-14(20(22)23-19)16-12-27-18-9-5-3-6-13(16)18;21-19-13(15-11-26-17-8-4-2-5-12(15)17)9-10-18(22-19)23-20(25)14-6-1-3-7-16(14)24;1-10-2-4-11(5-3-10)17(28)26-15-7-6-12(16(23)25-15)13-8-27-9-14(19(20,21)22)24-18(27)29-13/h4-12H,1-3H3,(H,24,27)(H3,23,25,26,28);2-12,26H,1H3,(H3,22,23,24,27);3-12H,1-2H3,(H3,22,23,24,26);2-12H,1H3,(H3,22,23,24,25);1-11,24H,(H3,21,22,23,25);2-9H,1H3,(H3,23,25,26,28)
InChIKeyRLEBLEDJDPNLSO-UHFFFAOYSA-N
MW2248.54 g/mol
LogP25.58
Rot. Bonds22

About N-[5-(5-acetamido-2-methylphenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(2-formyl-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide

N-[5-(5-acetamido-2-methylphenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(2-formyl-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 160656919) has the molecular formula C124H105F3N22O12S3 and a molecular weight of 2248.54 g/mol. Its IUPAC name is N-[5-(5-acetamido-2-methylphenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(2-formyl-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(5-acetamido-2-methylphenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(2-formyl-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide
PubChem CID160656919
Molecular FormulaC124H105F3N22O12S3
Molecular Weight2248.54 g/mol
Exact Mass2246.74
IUPAC NameN-[5-(5-acetamido-2-methylphenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(2-formyl-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide
SMILESCC(=O)Nc1ccc(C)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1ccc(C=O)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1ccccc1C(=O)Nc1ccc(-c2csc3ccccc23)c(N)n1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cc(C(F)(F)F)nc4s3)c(N)n2)cc1.Cn1c(-c2ccc(NC(=O)c3ccccc3O)nc2N)cc2ccccc21.Nc1nc(NC(=O)c2ccccc2O)ccc1-c1csc2ccccc12
InChIInChI=1S/C22H22N4O2.C21H18N4O2.C21H19N3O3.C21H17N3O2S.C20H15N3O2S.C19H14F3N5OS/c1-13-4-7-16(8-5-13)22(28)26-20-11-10-18(21(23)25-20)19-12-17(24-15(3)27)9-6-14(19)2;1-25-16-8-4-2-6-13(16)12-17(25)14-10-11-19(23-20(14)22)24-21(27)15-7-3-5-9-18(15)26;1-13-3-5-14(6-4-13)21(26)24-19-10-9-17(20(22)23-19)18-11-16(27-2)8-7-15(18)12-25;1-26-17-8-4-2-7-15(17)21(25)24-19-11-10-14(20(22)23-19)16-12-27-18-9-5-3-6-13(16)18;21-19-13(15-11-26-17-8-4-2-5-12(15)17)9-10-18(22-19)23-20(25)14-6-1-3-7-16(14)24;1-10-2-4-11(5-3-10)17(28)26-15-7-6-12(16(23)25-15)13-8-27-9-14(19(20,21)22)24-18(27)29-13/h4-12H,1-3H3,(H,24,27)(H3,23,25,26,28);2-12,26H,1H3,(H3,22,23,24,27);3-12H,1-2H3,(H3,22,23,24,26);2-12H,1H3,(H3,22,23,24,25);1-11,24H,(H3,21,22,23,25);2-9H,1H3,(H3,23,25,26,28)
InChIKeyRLEBLEDJDPNLSO-UHFFFAOYSA-N
XLogP25.58
TPSA535.38 Ų
H-Bond Donors15
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms164
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002248.54
LogP ≤ 525.58
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze N-[5-(5-acetamido-2-methylphenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(2-formyl-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-acetamido-2-methylphenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(2-formyl-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[5-(5-acetamido-2-methylphenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(2-formyl-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide (CID 160656919) is N-[5-(5-acetamido-2-methylphenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(2-formyl-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(5-acetamido-2-methylphenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(2-formyl-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[5-(5-acetamido-2-methylphenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(2-formyl-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide is CC(=O)Nc1ccc(C)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1ccc(C=O)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1ccccc1C(=O)Nc1ccc(-c2csc3ccccc23)c(N)n1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cc(C(F)(F)F)nc4s3)c(N)n2)cc1.Cn1c(-c2ccc(NC(=O)c3ccccc3O)nc2N)cc2ccccc21.Nc1nc(NC(=O)c2ccccc2O)ccc1-c1csc2ccccc12.
What is the InChIKey of N-[5-(5-acetamido-2-methylphenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(2-formyl-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide?
The InChIKey is RLEBLEDJDPNLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2.C21H18N4O2.C21H19N3O3.C21H17N3O2S.C20H15N3O2S.C19H14F3N5OS/c1-13-4-7-16(8-5-13)22(28)26-20-11-10-18(21(23)25-20)19-12-17(24-15(3)27)9-6-14(19)2;1-25-16-8-4-2-6-13(16)12-17(25)14-10-11-19(23-20(14)22)24-21(27)15-7-3-5-9-18(15)26;1-13-3-5-14(6-4-13)21(26)24-19-10-9-17(20(22)23-19)18-11-16(27-2)8-7-15(18)12-25;1-26-17-8-4-2-7-15(17)21(25)24-19-11-10-14(20(22)23-19)16-12-27-18-9-5-3-6-13(16)18;21-19-13(15-11-26-17-8-4-2-5-12(15)17)9-10-18(22-19)23-20(25)14-6-1-3-7-16(14)24;1-10-2-4-11(5-3-10)17(28)26-15-7-6-12(16(23)25-15)13-8-27-9-14(19(20,21)22)24-18(27)29-13/h4-12H,1-3H3,(H,24,27)(H3,23,25,26,28);2-12,26H,1H3,(H3,22,23,24,27);3-12H,1-2H3,(H3,22,23,24,26);2-12H,1H3,(H3,22,23,24,25);1-11,24H,(H3,21,22,23,25);2-9H,1H3,(H3,23,25,26,28).
What are the key properties of N-[5-(5-acetamido-2-methylphenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(2-formyl-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide?
N-[5-(5-acetamido-2-methylphenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(2-formyl-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide has a molecular weight of 2248.54 g/mol, XLogP of 25.58, 22 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-acetamido-2-methylphenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(2-formyl-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 160656919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).