N-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide

C14H12N4O2 — CID 27649712

IUPACN-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C14H12N4O2/c1-20-12-7-6-9(8-15-12)13(19)18-14-16-10-4-2-3-5-11(10)17-14/h2-8H,1H3,(H2,16,17,18,19)
InChIKeyIGTDQJDDMFAORI-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.22
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide

N-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide (PubChem CID 27649712) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide
PubChem CID27649712
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C14H12N4O2/c1-20-12-7-6-9(8-15-12)13(19)18-14-16-10-4-2-3-5-11(10)17-14/h2-8H,1H3,(H2,16,17,18,19)
InChIKeyIGTDQJDDMFAORI-UHFFFAOYSA-N
XLogP2.22
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide
CID 18116503
N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide
CID 42151221
N-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide
CID 18207711
N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide
CID 167880656
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334
N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 17476486
N-(1H-benzimidazol-2-yl)-4-(carbamoylamino)benzamide
CID 2477191
N-(1H-benzimidazol-2-yl)-4-pyridin-4-yloxybenzamide
CID 11771861
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
6-methoxy-N-pyridin-2-ylpyridine-3-carboxamide
CID 35035663
methyl N-(1H-benzimidazol-2-yl)carbamoperoxoate
CID 13411944
2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 63565075

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide (CID 27649712) is N-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cn1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide?
The InChIKey is IGTDQJDDMFAORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-20-12-7-6-9(8-15-12)13(19)18-14-16-10-4-2-3-5-11(10)17-14/h2-8H,1H3,(H2,16,17,18,19).
What are the key properties of N-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide?
N-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 27649712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).