N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide

C19H21N3O3 — CID 5001175

IUPACN-[4-(4-methylpiperidine-1-carbonyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)CC1
InChIInChI=1S/C19H21N3O3/c1-13-8-10-22(11-9-13)19(25)14-2-5-16(6-3-14)21-18(24)15-4-7-17(23)20-12-15/h2-7,12-13H,8-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyPQWAWVMPKOUMBR-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.50
Rot. Bonds3

About N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide

N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 5001175) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidine-1-carbonyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID5001175
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[4-(4-methylpiperidine-1-carbonyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)CC1
InChIInChI=1S/C19H21N3O3/c1-13-8-10-22(11-9-13)19(25)14-2-5-16(6-3-14)21-18(24)15-4-7-17(23)20-12-15/h2-7,12-13H,8-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyPQWAWVMPKOUMBR-UHFFFAOYSA-N
XLogP2.50
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 47326206
2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179593
N-(3,5-dichlorophenyl)-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044981
(2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119301656
N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8745096
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 21105613
N-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 49348738
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042
N-(4-acetamidophenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103264
N-(4-fluorophenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081738
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54815489

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide (CID 5001175) is N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide is CC1CCN(C(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PQWAWVMPKOUMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-8-10-22(11-9-13)19(25)14-2-5-16(6-3-14)21-18(24)15-4-7-17(23)20-12-15/h2-7,12-13H,8-11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 5001175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).