2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide

C19H22N4O2 — CID 122150093

IUPAC2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)ccc1C(=O)NCCc1nc2ccccc2n1C(C)C
InChIInChI=1S/C19H22N4O2/c1-12(2)23-16-7-5-4-6-15(16)22-17(23)10-11-20-19(25)14-8-9-18(24)21-13(14)3/h4-9,12H,10-11H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyYQZLZZKIKWOFHD-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.59
Rot. Bonds5

About 2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide

2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 122150093) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
PubChem CID122150093
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)ccc1C(=O)NCCc1nc2ccccc2n1C(C)C
InChIInChI=1S/C19H22N4O2/c1-12(2)23-16-7-5-4-6-15(16)22-17(23)10-11-20-19(25)14-8-9-18(24)21-13(14)3/h4-9,12H,10-11H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyYQZLZZKIKWOFHD-UHFFFAOYSA-N
XLogP2.59
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide
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N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide (CID 122150093) is 2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)ccc1C(=O)NCCc1nc2ccccc2n1C(C)C.
What is the InChIKey of 2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is YQZLZZKIKWOFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12(2)23-16-7-5-4-6-15(16)22-17(23)10-11-20-19(25)14-8-9-18(24)21-13(14)3/h4-9,12H,10-11H2,1-3H3,(H,20,25)(H,21,24).
What are the key properties of 2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 122150093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).