N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide

C21H16N2O2 — CID 42925184

IUPACN-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1cc2ccccc2o1)c1ccncc1
InChIInChI=1S/C21H16N2O2/c24-21(16-10-12-22-13-11-16)23-20(15-6-2-1-3-7-15)19-14-17-8-4-5-9-18(17)25-19/h1-14,20H,(H,23,24)
InChIKeyOMWODDQBBDQPJL-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.35
Rot. Bonds4

About N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide

N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide (PubChem CID 42925184) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide
PubChem CID42925184
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC NameN-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1cc2ccccc2o1)c1ccncc1
InChIInChI=1S/C21H16N2O2/c24-21(16-10-12-22-13-11-16)23-20(15-6-2-1-3-7-15)19-14-17-8-4-5-9-18(17)25-19/h1-14,20H,(H,23,24)
InChIKeyOMWODDQBBDQPJL-UHFFFAOYSA-N
XLogP4.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-oxochromen-3-yl)-phenylmethyl]benzamide
CID 13285193
3-acetamido-N-[1-benzofuran-2-yl(phenyl)methyl]-4-fluorobenzamide
CID 60569246
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]cyclobutanecarboxamide
CID 40789963
N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]pyridine-4-carboxamide
CID 110322061
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide
CID 26177693
N-[1-benzofuran-2-yl(phenyl)methyl]-2,4-dimethoxybenzamide
CID 43035801
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(2-fluorophenyl)acetamide
CID 51727752
4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide
CID 120559534
2-[[1-benzofuran-2-yl(pyridin-3-yl)methyl]amino]acetic acid
CID 167164269
N-[(S)-phenyl(1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 99645762
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide (CID 42925184) is N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide is O=C(NC(c1ccccc1)c1cc2ccccc2o1)c1ccncc1.
What is the InChIKey of N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide?
The InChIKey is OMWODDQBBDQPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-21(16-10-12-22-13-11-16)23-20(15-6-2-1-3-7-15)19-14-17-8-4-5-9-18(17)25-19/h1-14,20H,(H,23,24).
What are the key properties of N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide?
N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 42925184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).