N-[1-[(3S,4S)-4-hydroxyoxan-3-yl]benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide

C25H24N4O4 — CID 155348736

IUPACN-[1-[(3S,4S)-4-hydroxyoxan-3-yl]benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2nc3ccccc3n2[C@H]2COCC[C@@H]2O)ccn1
InChIInChI=1S/C25H24N4O4/c1-32-23-9-5-2-6-17(23)19-14-16(10-12-26-19)24(31)28-25-27-18-7-3-4-8-20(18)29(25)21-15-33-13-11-22(21)30/h2-10,12,14,21-22,30H,11,13,15H2,1H3,(H,27,28,31)/t21-,22-/m0/s1
InChIKeyCTPLFTNVBXKWLB-VXKWHMMOSA-N
MW444.49 g/mol
LogP3.68
Rot. Bonds5

About N-[1-[(3S,4S)-4-hydroxyoxan-3-yl]benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide

N-[1-[(3S,4S)-4-hydroxyoxan-3-yl]benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 155348736) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[1-[(3S,4S)-4-hydroxyoxan-3-yl]benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3S,4S)-4-hydroxyoxan-3-yl]benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
PubChem CID155348736
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-[1-[(3S,4S)-4-hydroxyoxan-3-yl]benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2nc3ccccc3n2[C@H]2COCC[C@@H]2O)ccn1
InChIInChI=1S/C25H24N4O4/c1-32-23-9-5-2-6-17(23)19-14-16(10-12-26-19)24(31)28-25-27-18-7-3-4-8-20(18)29(25)21-15-33-13-11-22(21)30/h2-10,12,14,21-22,30H,11,13,15H2,1H3,(H,27,28,31)/t21-,22-/m0/s1
InChIKeyCTPLFTNVBXKWLB-VXKWHMMOSA-N
XLogP3.68
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(4-hydroxycyclohexyl)-5-methylbenzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 139447595
N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 139447834
N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155348727
N-[1-(2-hydroxy-2-methylpropyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 139447719
N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyridine-4-carboxamide
CID 139448027
N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide
CID 139447854
N-[5-(1-acetylpiperidin-3-yl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 139447643
N-(1-cyclopentylbenzimidazol-2-yl)-2-methylpyridine-4-carboxamide
CID 136538090
4-[(1-cyclopentylbenzimidazol-2-yl)amino]-3-methoxy-N-methylbenzamide
CID 73051604
(3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide
CID 99811453
N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 154861318
N-[6-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 166926939

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S,4S)-4-hydroxyoxan-3-yl]benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of N-[1-[(3S,4S)-4-hydroxyoxan-3-yl]benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide (CID 155348736) is N-[1-[(3S,4S)-4-hydroxyoxan-3-yl]benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(3S,4S)-4-hydroxyoxan-3-yl]benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-[(3S,4S)-4-hydroxyoxan-3-yl]benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide is COc1ccccc1-c1cc(C(=O)Nc2nc3ccccc3n2[C@H]2COCC[C@@H]2O)ccn1.
What is the InChIKey of N-[1-[(3S,4S)-4-hydroxyoxan-3-yl]benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is CTPLFTNVBXKWLB-VXKWHMMOSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-32-23-9-5-2-6-17(23)19-14-16(10-12-26-19)24(31)28-25-27-18-7-3-4-8-20(18)29(25)21-15-33-13-11-22(21)30/h2-10,12,14,21-22,30H,11,13,15H2,1H3,(H,27,28,31)/t21-,22-/m0/s1.
What are the key properties of N-[1-[(3S,4S)-4-hydroxyoxan-3-yl]benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide?
N-[1-[(3S,4S)-4-hydroxyoxan-3-yl]benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S,4S)-4-hydroxyoxan-3-yl]benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 155348736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).