N-(1-benzofuran-2-ylmethyl)-1-cyclopropyl-4-methyl-2-oxopyridine-3-carboxamide

C19H18N2O3 — CID 172665635

IUPACN-(1-benzofuran-2-ylmethyl)-1-cyclopropyl-4-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccn(C2CC2)c(=O)c1C(=O)NCc1cc2ccccc2o1
InChIInChI=1S/C19H18N2O3/c1-12-8-9-21(14-6-7-14)19(23)17(12)18(22)20-11-15-10-13-4-2-3-5-16(13)24-15/h2-5,8-10,14H,6-7,11H2,1H3,(H,20,22)
InChIKeyQLCPNZIWBQPIFB-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.17
Rot. Bonds4

About N-(1-benzofuran-2-ylmethyl)-1-cyclopropyl-4-methyl-2-oxopyridine-3-carboxamide

N-(1-benzofuran-2-ylmethyl)-1-cyclopropyl-4-methyl-2-oxopyridine-3-carboxamide (PubChem CID 172665635) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-1-cyclopropyl-4-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-1-cyclopropyl-4-methyl-2-oxopyridine-3-carboxamide
PubChem CID172665635
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(1-benzofuran-2-ylmethyl)-1-cyclopropyl-4-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccn(C2CC2)c(=O)c1C(=O)NCc1cc2ccccc2o1
InChIInChI=1S/C19H18N2O3/c1-12-8-9-21(14-6-7-14)19(23)17(12)18(22)20-11-15-10-13-4-2-3-5-16(13)24-15/h2-5,8-10,14H,6-7,11H2,1H3,(H,20,22)
InChIKeyQLCPNZIWBQPIFB-UHFFFAOYSA-N
XLogP3.17
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172664883
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide
CID 140966924
N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 86994452
1-(4-hydroxycyclohexyl)-4-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxopyridine-3-carboxamide
CID 172666720
(3R)-N-(1-benzofuran-2-ylmethyl)-1-(3,4-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 97006207
N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172669654
1-(4-hydroxycyclohexyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172666762
ethyl 1-[N-(1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156276
methyl 1-[N-(1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252924
N-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
CID 172910815
N-(1-benzofuran-2-ylmethyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 126777983

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-cyclopropyl-4-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-cyclopropyl-4-methyl-2-oxopyridine-3-carboxamide (CID 172665635) is N-(1-benzofuran-2-ylmethyl)-1-cyclopropyl-4-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-1-cyclopropyl-4-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-1-cyclopropyl-4-methyl-2-oxopyridine-3-carboxamide is Cc1ccn(C2CC2)c(=O)c1C(=O)NCc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-1-cyclopropyl-4-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is QLCPNZIWBQPIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-8-9-21(14-6-7-14)19(23)17(12)18(22)20-11-15-10-13-4-2-3-5-16(13)24-15/h2-5,8-10,14H,6-7,11H2,1H3,(H,20,22).
What are the key properties of N-(1-benzofuran-2-ylmethyl)-1-cyclopropyl-4-methyl-2-oxopyridine-3-carboxamide?
N-(1-benzofuran-2-ylmethyl)-1-cyclopropyl-4-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-1-cyclopropyl-4-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172665635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).