N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide

C20H17N5O — CID 142813059

IUPACN-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide
SMILESCNc1ccc(-c2nc3ccc(NC(=O)c4ccccn4)cc3[nH]2)cc1
InChIInChI=1S/C20H17N5O/c1-21-14-7-5-13(6-8-14)19-24-16-10-9-15(12-18(16)25-19)23-20(26)17-4-2-3-11-22-17/h2-12,21H,1H3,(H,23,26)(H,24,25)
InChIKeyARIRDEPSVVDIRJ-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.92
Rot. Bonds4

About N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide

N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide (PubChem CID 142813059) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide
PubChem CID142813059
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide
SMILESCNc1ccc(-c2nc3ccc(NC(=O)c4ccccn4)cc3[nH]2)cc1
InChIInChI=1S/C20H17N5O/c1-21-14-7-5-13(6-8-14)19-24-16-10-9-15(12-18(16)25-19)23-20(26)17-4-2-3-11-22-17/h2-12,21H,1H3,(H,23,26)(H,24,25)
InChIKeyARIRDEPSVVDIRJ-UHFFFAOYSA-N
XLogP3.92
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide
CID 10149852
4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide
CID 142812719
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
1-methyl-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)imidazole-4-carboxamide
CID 122156351
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 53368586
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-2-carboxamide
CID 110793292
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide
CID 67686397
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 168608096

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide (CID 142813059) is N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide is CNc1ccc(-c2nc3ccc(NC(=O)c4ccccn4)cc3[nH]2)cc1.
What is the InChIKey of N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide?
The InChIKey is ARIRDEPSVVDIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-21-14-7-5-13(6-8-14)19-24-16-10-9-15(12-18(16)25-19)23-20(26)17-4-2-3-11-22-17/h2-12,21H,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide?
N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 142813059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).