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

C16H16N4O2 — CID 18116503

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C16H16N4O2/c1-10(15-19-12-5-3-4-6-13(12)20-15)18-16(21)11-7-8-14(22-2)17-9-11/h3-10H,1-2H3,(H,18,21)(H,19,20)/t10-/m0/s1
InChIKeyHOTKNUJUOWWMDS-JTQLQIEISA-N
MW296.33 g/mol
LogP2.46
Rot. Bonds4

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

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide (PubChem CID 18116503) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide
PubChem CID18116503
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C16H16N4O2/c1-10(15-19-12-5-3-4-6-13(12)20-15)18-16(21)11-7-8-14(22-2)17-9-11/h3-10H,1-2H3,(H,18,21)(H,19,20)/t10-/m0/s1
InChIKeyHOTKNUJUOWWMDS-JTQLQIEISA-N
XLogP2.46
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
N-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27649712
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 18116381
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 55380895
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide
CID 78806018
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95233258
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide
CID 60509484
6-methoxy-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 24645455
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide (CID 18116503) is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cn1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is HOTKNUJUOWWMDS-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10(15-19-12-5-3-4-6-13(12)20-15)18-16(21)11-7-8-14(22-2)17-9-11/h3-10H,1-2H3,(H,18,21)(H,19,20)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 18116503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).