1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide

C17H18N2O2 — CID 56813252

IUPAC1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
SMILESCn1cc(C(=O)NCC2(c3ccccc3)CC2)ccc1=O
InChIInChI=1S/C17H18N2O2/c1-19-11-13(7-8-15(19)20)16(21)18-12-17(9-10-17)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,18,21)
InChIKeyOJDIGAQCXAKHOZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.85
Rot. Bonds4

About 1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide

1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide (PubChem CID 56813252) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
PubChem CID56813252
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
SMILESCn1cc(C(=O)NCC2(c3ccccc3)CC2)ccc1=O
InChIInChI=1S/C17H18N2O2/c1-19-11-13(7-8-15(19)20)16(21)18-12-17(9-10-17)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,18,21)
InChIKeyOJDIGAQCXAKHOZ-UHFFFAOYSA-N
XLogP1.85
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide
CID 91955095
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide
CID 110467135
2-methyl-1,3-dioxo-N-[(1-phenylcyclopentyl)methyl]isoindole-5-carboxamide
CID 24586290
N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 20596215
3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51111712
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide
CID 29293830
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
3-(2,2-dimethylpropanoylamino)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46532894
1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 56818346

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide (CID 56813252) is 1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide is Cn1cc(C(=O)NCC2(c3ccccc3)CC2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide?
The InChIKey is OJDIGAQCXAKHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19-11-13(7-8-15(19)20)16(21)18-12-17(9-10-17)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,18,21).
What are the key properties of 1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide?
1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 56813252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).