N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide

C17H16N2O3 — CID 94001499

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccn(C)c(=O)c1)c1cc2ccccc2o1
InChIInChI=1S/C17H16N2O3/c1-11(15-9-12-5-3-4-6-14(12)22-15)18-17(21)13-7-8-19(2)16(20)10-13/h3-11H,1-2H3,(H,18,21)/t11-/m0/s1
InChIKeyYCHRRCOXMFYDBU-NSHDSACASA-N
MW296.33 g/mol
LogP2.62
Rot. Bonds3

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 94001499) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID94001499
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccn(C)c(=O)c1)c1cc2ccccc2o1
InChIInChI=1S/C17H16N2O3/c1-11(15-9-12-5-3-4-6-14(12)22-15)18-17(21)13-7-8-19(2)16(20)10-13/h3-11H,1-2H3,(H,18,21)/t11-/m0/s1
InChIKeyYCHRRCOXMFYDBU-NSHDSACASA-N
XLogP2.62
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide
CID 103752003
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 9194058
N-[1-(1-benzofuran-2-yl)ethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 51266621
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide
CID 39966545
N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 46489933
N-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide
CID 78911568
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide
CID 26383582
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
CID 95318825
N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 45353703

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 94001499) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide is C[C@H](NC(=O)c1ccn(C)c(=O)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is YCHRRCOXMFYDBU-NSHDSACASA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11(15-9-12-5-3-4-6-14(12)22-15)18-17(21)13-7-8-19(2)16(20)10-13/h3-11H,1-2H3,(H,18,21)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 94001499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).