5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide

C20H22N2O3 — CID 145267548

IUPAC5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide
SMILESCC/C=C(/C)c1cccc(Cn2cc(C=O)cc(C(=O)NC)c2=O)c1
InChIInChI=1S/C20H22N2O3/c1-4-6-14(2)17-8-5-7-15(9-17)11-22-12-16(13-23)10-18(20(22)25)19(24)21-3/h5-10,12-13H,4,11H2,1-3H3,(H,21,24)/b14-6-
InChIKeyRPVXIASFPQPZSU-NSIKDUERSA-N
MW338.41 g/mol
LogP2.88
Rot. Bonds6

About 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide

5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 145267548) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide
PubChem CID145267548
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide
SMILESCC/C=C(/C)c1cccc(Cn2cc(C=O)cc(C(=O)NC)c2=O)c1
InChIInChI=1S/C20H22N2O3/c1-4-6-14(2)17-8-5-7-15(9-17)11-22-12-16(13-23)10-18(20(22)25)19(24)21-3/h5-10,12-13H,4,11H2,1-3H3,(H,21,24)/b14-6-
InChIKeyRPVXIASFPQPZSU-NSIKDUERSA-N
XLogP2.88
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-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

5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide;methanol
CID 145267547
N-fluoromethanamine;5-formyl-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 145267435
1-[(2-fluoro-5-methylphenyl)methyl]-5-formyl-N-methyl-2-oxopyridine-3-carboxamide
CID 126676091
1-benzyl-5-formyl-N-methyl-2-oxopyridine-3-carboxamide;2-N-methylspiro[3.3]heptane-2,6-diamine
CID 145267553
5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 129022652
3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 145267575
butyl 1-[(3-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylate
CID 126676042
5-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648895
1-benzyl-N-methyl-5-(methylaminomethyl)-2-oxopyridine-3-carboxamide
CID 126676383
1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 158224841
N-methyl-5-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 160757758
1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 160864005

Frequently Asked Questions

What is the IUPAC name of 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide (CID 145267548) is 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide is CC/C=C(/C)c1cccc(Cn2cc(C=O)cc(C(=O)NC)c2=O)c1.
What is the InChIKey of 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is RPVXIASFPQPZSU-NSIKDUERSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-6-14(2)17-8-5-7-15(9-17)11-22-12-16(13-23)10-18(20(22)25)19(24)21-3/h5-10,12-13H,4,11H2,1-3H3,(H,21,24)/b14-6-.
What are the key properties of 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide?
5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 145267548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).