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

C17H18N4O2 — CID 42151221

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C17H18N4O2/c1-23-16-9-8-12(11-19-16)17(22)18-10-4-7-15-20-13-5-2-3-6-14(13)21-15/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,18,22)(H,20,21)
InChIKeyMIKUDEUHHBVNCF-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.33
Rot. Bonds6

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

N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide (PubChem CID 42151221) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide
PubChem CID42151221
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C17H18N4O2/c1-23-16-9-8-12(11-19-16)17(22)18-10-4-7-15-20-13-5-2-3-6-14(13)21-15/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,18,22)(H,20,21)
InChIKeyMIKUDEUHHBVNCF-UHFFFAOYSA-N
XLogP2.33
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27649712
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
methyl 6-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyridine-3-carboxylate
CID 32657840
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
CID 4917285
3-(1H-benzimidazol-2-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 44773909
N-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17474306
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide
CID 41478889
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 122564722
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide
CID 18116503
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 30358126

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide (CID 42151221) is N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cn1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is MIKUDEUHHBVNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-23-16-9-8-12(11-19-16)17(22)18-10-4-7-15-20-13-5-2-3-6-14(13)21-15/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,18,22)(H,20,21).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 42151221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).