N-(1-benzyl-4-methylpiperidin-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C20H25N3O2 — CID 126830322

IUPACN-(1-benzyl-4-methylpiperidin-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CN(Cc3ccccc3)CCC2C)c[nH]1
InChIInChI=1S/C20H25N3O2/c1-14-8-9-23(12-16-6-4-3-5-7-16)13-18(14)22-20(25)17-11-21-15(2)10-19(17)24/h3-7,10-11,14,18H,8-9,12-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyNKJMCFVDRAUXMP-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.32
Rot. Bonds4

About N-(1-benzyl-4-methylpiperidin-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-(1-benzyl-4-methylpiperidin-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 126830322) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(1-benzyl-4-methylpiperidin-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4-methylpiperidin-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID126830322
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(1-benzyl-4-methylpiperidin-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CN(Cc3ccccc3)CCC2C)c[nH]1
InChIInChI=1S/C20H25N3O2/c1-14-8-9-23(12-16-6-4-3-5-7-16)13-18(14)22-20(25)17-11-21-15(2)10-19(17)24/h3-7,10-11,14,18H,8-9,12-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyNKJMCFVDRAUXMP-UHFFFAOYSA-N
XLogP2.32
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868
methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride
CID 56832345
(3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-dihydroxybutanedioic acid
CID 175597932
N-(1-ethylpiperidin-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717406
N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-methylthiophene-3-carboxamide
CID 98854261
N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide
CID 136512736
5-(4-benzyl-2,3,5-trimethylpiperazine-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 166239799
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
[2-[(1-benzyl-3-hydroxypiperidin-4-yl)carbamoyl]phenyl] acetate
CID 67914564
[(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid
CID 68520665
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide
CID 55376410

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-methylpiperidin-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-benzyl-4-methylpiperidin-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 126830322) is N-(1-benzyl-4-methylpiperidin-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-4-methylpiperidin-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-benzyl-4-methylpiperidin-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NC2CN(Cc3ccccc3)CCC2C)c[nH]1.
What is the InChIKey of N-(1-benzyl-4-methylpiperidin-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NKJMCFVDRAUXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-8-9-23(12-16-6-4-3-5-7-16)13-18(14)22-20(25)17-11-21-15(2)10-19(17)24/h3-7,10-11,14,18H,8-9,12-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(1-benzyl-4-methylpiperidin-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-(1-benzyl-4-methylpiperidin-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-methylpiperidin-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 126830322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).