N-(4-fluoro-3-methoxyphenyl)-3-[6-[(2-methoxyacetyl)amino]-3-pyridinyl]-N-methylbenzimidazole-5-carboxamide

C24H22FN5O4 — CID 171799527

IUPACN-(4-fluoro-3-methoxyphenyl)-3-[6-[(2-methoxyacetyl)amino]-3-pyridinyl]-N-methylbenzimidazole-5-carboxamide
SMILESCOCC(=O)Nc1ccc(-n2cnc3ccc(C(=O)N(C)c4ccc(F)c(OC)c4)cc32)cn1
InChIInChI=1S/C24H22FN5O4/c1-29(16-5-7-18(25)21(11-16)34-3)24(32)15-4-8-19-20(10-15)30(14-27-19)17-6-9-22(26-12-17)28-23(31)13-33-2/h4-12,14H,13H2,1-3H3,(H,26,28,31)
InChIKeyYPGLWPKEOOTCJM-UHFFFAOYSA-N
MW463.47 g/mol
LogP3.43
Rot. Bonds7

About N-(4-fluoro-3-methoxyphenyl)-3-[6-[(2-methoxyacetyl)amino]-3-pyridinyl]-N-methylbenzimidazole-5-carboxamide

N-(4-fluoro-3-methoxyphenyl)-3-[6-[(2-methoxyacetyl)amino]-3-pyridinyl]-N-methylbenzimidazole-5-carboxamide (PubChem CID 171799527) has the molecular formula C24H22FN5O4 and a molecular weight of 463.47 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-3-[6-[(2-methoxyacetyl)amino]-3-pyridinyl]-N-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-3-[6-[(2-methoxyacetyl)amino]-3-pyridinyl]-N-methylbenzimidazole-5-carboxamide
PubChem CID171799527
Molecular FormulaC24H22FN5O4
Molecular Weight463.47 g/mol
Exact Mass463.17
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-3-[6-[(2-methoxyacetyl)amino]-3-pyridinyl]-N-methylbenzimidazole-5-carboxamide
SMILESCOCC(=O)Nc1ccc(-n2cnc3ccc(C(=O)N(C)c4ccc(F)c(OC)c4)cc32)cn1
InChIInChI=1S/C24H22FN5O4/c1-29(16-5-7-18(25)21(11-16)34-3)24(32)15-4-8-19-20(10-15)30(14-27-19)17-6-9-22(26-12-17)28-23(31)13-33-2/h4-12,14H,13H2,1-3H3,(H,26,28,31)
InChIKeyYPGLWPKEOOTCJM-UHFFFAOYSA-N
XLogP3.43
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-fluoro-3-methoxyphenyl)-3-[6-[(2-methoxyacetyl)amino]-3-pyridinyl]-N-methylbenzimidazole-5-carboxamide with MolForge

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Related Compounds

methyl N-[5-[6-[2-cyanoethyl-(4-fluoro-3-methoxyphenyl)carbamoyl]-4-methylbenzimidazol-1-yl]-2-pyridinyl]carbamate
CID 171799551
3-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(4-fluoro-3-methylphenyl)-N,7-dimethylbenzimidazole-5-carboxamide
CID 171799539
2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid
CID 81283075
lithium 1-[6-(methoxycarbonylamino)-3-pyridinyl]imidazo[4,5-c]pyridine-6-carboxylate
CID 171799615
3-(4-acetamidophenyl)-N-(3,4-difluorophenyl)-N,7-dimethylbenzimidazole-5-carboxamide
CID 171799532
methyl N-[5-[2-[(4-fluoro-3-methoxyphenyl)-methylcarbamoyl]-7-methylthieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate
CID 177337150
N-(3-methoxyphenyl)-N-methyl-6-(methylamino)pyridine-3-carboxamide
CID 62180536
3-[(4-fluoro-3-methoxybenzoyl)-methylamino]propanoic acid
CID 81283720
N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide
CID 110425434
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
3-(4-chlorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzimidazole-5-carboxamide
CID 139000111
4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide
CID 91773799

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-3-[6-[(2-methoxyacetyl)amino]-3-pyridinyl]-N-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-3-[6-[(2-methoxyacetyl)amino]-3-pyridinyl]-N-methylbenzimidazole-5-carboxamide (CID 171799527) is N-(4-fluoro-3-methoxyphenyl)-3-[6-[(2-methoxyacetyl)amino]-3-pyridinyl]-N-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-3-[6-[(2-methoxyacetyl)amino]-3-pyridinyl]-N-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-3-[6-[(2-methoxyacetyl)amino]-3-pyridinyl]-N-methylbenzimidazole-5-carboxamide is COCC(=O)Nc1ccc(-n2cnc3ccc(C(=O)N(C)c4ccc(F)c(OC)c4)cc32)cn1.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-3-[6-[(2-methoxyacetyl)amino]-3-pyridinyl]-N-methylbenzimidazole-5-carboxamide?
The InChIKey is YPGLWPKEOOTCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O4/c1-29(16-5-7-18(25)21(11-16)34-3)24(32)15-4-8-19-20(10-15)30(14-27-19)17-6-9-22(26-12-17)28-23(31)13-33-2/h4-12,14H,13H2,1-3H3,(H,26,28,31).
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-3-[6-[(2-methoxyacetyl)amino]-3-pyridinyl]-N-methylbenzimidazole-5-carboxamide?
N-(4-fluoro-3-methoxyphenyl)-3-[6-[(2-methoxyacetyl)amino]-3-pyridinyl]-N-methylbenzimidazole-5-carboxamide has a molecular weight of 463.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-3-[6-[(2-methoxyacetyl)amino]-3-pyridinyl]-N-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 171799527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).