6-methyl-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C19H29N3O2 — CID 56716835

IUPAC6-methyl-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC/C=C(\C)CN1CCCC(CNC(=O)c2ccc(C)[nH]c2=O)C1
InChIInChI=1S/C19H29N3O2/c1-4-6-14(2)12-22-10-5-7-16(13-22)11-20-18(23)17-9-8-15(3)21-19(17)24/h6,8-9,16H,4-5,7,10-13H2,1-3H3,(H,20,23)(H,21,24)/b14-6+
InChIKeyDYMORIHNSHPGRK-MKMNVTDBSA-N
MW331.46 g/mol
LogP2.48
Rot. Bonds6

About 6-methyl-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

6-methyl-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 56716835) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 6-methyl-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID56716835
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name6-methyl-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC/C=C(\C)CN1CCCC(CNC(=O)c2ccc(C)[nH]c2=O)C1
InChIInChI=1S/C19H29N3O2/c1-4-6-14(2)12-22-10-5-7-16(13-22)11-20-18(23)17-9-8-15(3)21-19(17)24/h6,8-9,16H,4-5,7,10-13H2,1-3H3,(H,20,23)(H,21,24)/b14-6+
InChIKeyDYMORIHNSHPGRK-MKMNVTDBSA-N
XLogP2.48
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methyl-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95149559
N-[2-[(3S)-1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide
CID 95207973
N-[3-(3-hydroxypiperidin-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 131895752
N-[[(3R)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 95200151
N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95191321
6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60513495
N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 95218334
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 131906921
2-acetyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 124758814
N-[[1-(3-methylbut-2-enyl)piperidin-3-yl]methyl]furan-3-carboxamide
CID 131937285
N-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115736977
N-(cyclopropylmethyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497565

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 56716835) is 6-methyl-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is CC/C=C(\C)CN1CCCC(CNC(=O)c2ccc(C)[nH]c2=O)C1.
What is the InChIKey of 6-methyl-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DYMORIHNSHPGRK-MKMNVTDBSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-4-6-14(2)12-22-10-5-7-16(13-22)11-20-18(23)17-9-8-15(3)21-19(17)24/h6,8-9,16H,4-5,7,10-13H2,1-3H3,(H,20,23)(H,21,24)/b14-6+.
What are the key properties of 6-methyl-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
6-methyl-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56716835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).