N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide

C14H10N2O3 — CID 571616

IUPACN-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)OC2)c1ccncc1
InChIInChI=1S/C14H10N2O3/c17-13(9-3-5-15-6-4-9)16-11-2-1-10-8-19-14(18)12(10)7-11/h1-7H,8H2,(H,16,17)
InChIKeyLXWLQAKUNRCFKC-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.00
Rot. Bonds2

About N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide

N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide (PubChem CID 571616) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide
PubChem CID571616
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC NameN-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)OC2)c1ccncc1
InChIInChI=1S/C14H10N2O3/c17-13(9-3-5-15-6-4-9)16-11-2-1-10-8-19-14(18)12(10)7-11/h1-7H,8H2,(H,16,17)
InChIKeyLXWLQAKUNRCFKC-UHFFFAOYSA-N
XLogP2.00
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-(3-oxo-1H-2-benzofuran-5-yl)-1,2-oxazole-4-carboxamide
CID 2810949
1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea
CID 808394
N-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide
CID 566349
1-(3-chlorophenyl)-N-(3-oxo-1H-2-benzofuran-5-yl)triazole-4-carboxamide
CID 146132210
N-(3,4-dihydro-2H-chromen-6-yl)pyridine-4-carboxamide
CID 110726182
1-(3,5-difluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)thiourea
CID 25098029
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-4-carboxamide
CID 26663415
N-(3,4-dibromophenyl)pyridine-4-carboxamide
CID 4139948
N-(3-oxo-1H-2-benzofuran-5-yl)methanesulfonamide
CID 738096
N-(5H-chromeno[3,4-c]pyridin-8-yl)pyrimidine-5-carboxamide
CID 121363949
4-(1,2,2,3,3,3-hexafluoropropoxy)-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide
CID 5305756
1-methyl-3-(3-oxo-1H-2-benzofuran-5-yl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea
CID 74241430

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide?
The IUPAC name of N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide (CID 571616) is N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide is O=C(Nc1ccc2c(c1)C(=O)OC2)c1ccncc1.
What is the InChIKey of N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide?
The InChIKey is LXWLQAKUNRCFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-13(9-3-5-15-6-4-9)16-11-2-1-10-8-19-14(18)12(10)7-11/h1-7H,8H2,(H,16,17).
What are the key properties of N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide?
N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 571616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).