N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide

C19H23N3O2 — CID 118790232

IUPACN-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCN1CCC(CNC(=O)c2cccc(=O)[nH]2)(c2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c1-22-12-10-19(11-13-22,15-6-3-2-4-7-15)14-20-18(24)16-8-5-9-17(23)21-16/h2-9H,10-14H2,1H3,(H,20,24)(H,21,23)
InChIKeyXEBJFNVQGICUOK-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.77
Rot. Bonds4

About N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide

N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 118790232) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID118790232
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCN1CCC(CNC(=O)c2cccc(=O)[nH]2)(c2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c1-22-12-10-19(11-13-22,15-6-3-2-4-7-15)14-20-18(24)16-8-5-9-17(23)21-16/h2-9H,10-14H2,1H3,(H,20,24)(H,21,23)
InChIKeyXEBJFNVQGICUOK-UHFFFAOYSA-N
XLogP1.77
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134127510
3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane
CID 142821686
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118776370
3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 91769760
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide
CID 142821690
2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide
CID 72873385
2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide
CID 119069555
(2S)-2-methoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-2-phenylacetamide
CID 124756158
2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide
CID 110467135
N-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040294
5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide
CID 24652393
1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 56813252

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide (CID 118790232) is N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide is CN1CCC(CNC(=O)c2cccc(=O)[nH]2)(c2ccccc2)CC1.
What is the InChIKey of N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is XEBJFNVQGICUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22-12-10-19(11-13-22,15-6-3-2-4-7-15)14-20-18(24)16-8-5-9-17(23)21-16/h2-9H,10-14H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 118790232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).