3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide

C15H12N2O2 — CID 648777

IUPAC3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccncc2)oc2ccccc12
InChIInChI=1S/C15H12N2O2/c1-10-12-4-2-3-5-13(12)19-14(10)15(18)17-11-6-8-16-9-7-11/h2-9H,1H3,(H,16,17,18)
InChIKeyUMBFFMXYQPRRRH-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.39
Rot. Bonds2

About 3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide

3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide (PubChem CID 648777) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
PubChem CID648777
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccncc2)oc2ccccc12
InChIInChI=1S/C15H12N2O2/c1-10-12-4-2-3-5-13(12)19-14(10)15(18)17-11-6-8-16-9-7-11/h2-9H,1H3,(H,16,17,18)
InChIKeyUMBFFMXYQPRRRH-UHFFFAOYSA-N
XLogP3.39
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid
CID 108793560
N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7944836
N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 788573
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide
CID 27160886
N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7925267
3-methyl-N-quinolin-5-yl-1-benzofuran-2-carboxamide
CID 8873313
3-methyl-N-(pyridin-3-ylcarbamothioyl)-1-benzofuran-2-carboxamide
CID 741784
3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide
CID 108793598
3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide
CID 108811485
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8919323
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 7770823
3-methyl-N-[(4-methylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 880265

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide (CID 648777) is 3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccncc2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide?
The InChIKey is UMBFFMXYQPRRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-12-4-2-3-5-13(12)19-14(10)15(18)17-11-6-8-16-9-7-11/h2-9H,1H3,(H,16,17,18).
What are the key properties of 3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide?
3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 648777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).