1-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylcyclohexane-1-carboxamide

C18H27N3O3 — CID 75534517

IUPAC1-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylcyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)NCc2c(C)cc(C)[nH]c2=O)CCC(C)CC1
InChIInChI=1S/C18H27N3O3/c1-11-5-7-18(8-6-11,21-14(4)22)17(24)19-10-15-12(2)9-13(3)20-16(15)23/h9,11H,5-8,10H2,1-4H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyDCPWMXHHUZUMCL-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.69
Rot. Bonds4

About 1-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylcyclohexane-1-carboxamide

1-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylcyclohexane-1-carboxamide (PubChem CID 75534517) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylcyclohexane-1-carboxamide
PubChem CID75534517
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylcyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)NCc2c(C)cc(C)[nH]c2=O)CCC(C)CC1
InChIInChI=1S/C18H27N3O3/c1-11-5-7-18(8-6-11,21-14(4)22)17(24)19-10-15-12(2)9-13(3)20-16(15)23/h9,11H,5-8,10H2,1-4H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyDCPWMXHHUZUMCL-UHFFFAOYSA-N
XLogP1.69
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylcyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 83626481
(2R)-2-(cyclopropylmethoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 95977136
cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 95976062
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
CID 95150723
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea
CID 95976630
(3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 97003239
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 17466838
cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide
CID 95976051
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]butanediamide
CID 86895908
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide
CID 84559992
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121990
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(4-ethylphenyl)-3-methyl-2-[(Z)-prop-1-enyl]benzamide;methylcyclopentane
CID 145396876

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylcyclohexane-1-carboxamide (CID 75534517) is 1-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylcyclohexane-1-carboxamide is CC(=O)NC1(C(=O)NCc2c(C)cc(C)[nH]c2=O)CCC(C)CC1.
What is the InChIKey of 1-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is DCPWMXHHUZUMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-11-5-7-18(8-6-11,21-14(4)22)17(24)19-10-15-12(2)9-13(3)20-16(15)23/h9,11H,5-8,10H2,1-4H3,(H,19,24)(H,20,23)(H,21,22).
What are the key properties of 1-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylcyclohexane-1-carboxamide?
1-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 75534517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).