N-(4-cyclohexyl-4-oxobutyl)-2-methyl-1,4-dihydropyridine-3-carboxamide

C17H26N2O2 — CID 67676870

IUPACN-(4-cyclohexyl-4-oxobutyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
SMILESCC1=C(C(=O)NCCCC(=O)C2CCCCC2)CC=CN1
InChIInChI=1S/C17H26N2O2/c1-13-15(9-5-11-18-13)17(21)19-12-6-10-16(20)14-7-3-2-4-8-14/h5,11,14,18H,2-4,6-10,12H2,1H3,(H,19,21)
InChIKeyGPAOGLUXWIKXSS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.81
Rot. Bonds6

About N-(4-cyclohexyl-4-oxobutyl)-2-methyl-1,4-dihydropyridine-3-carboxamide

N-(4-cyclohexyl-4-oxobutyl)-2-methyl-1,4-dihydropyridine-3-carboxamide (PubChem CID 67676870) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(4-cyclohexyl-4-oxobutyl)-2-methyl-1,4-dihydropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexyl-4-oxobutyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
PubChem CID67676870
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(4-cyclohexyl-4-oxobutyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
SMILESCC1=C(C(=O)NCCCC(=O)C2CCCCC2)CC=CN1
InChIInChI=1S/C17H26N2O2/c1-13-15(9-5-11-18-13)17(21)19-12-6-10-16(20)14-7-3-2-4-8-14/h5,11,14,18H,2-4,6-10,12H2,1H3,(H,19,21)
InChIKeyGPAOGLUXWIKXSS-UHFFFAOYSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46902841
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904934
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
CID 51359393
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904943
N-(4-cyclohexyl-4-oxobutyl)-1-methyl-4H-pyridine-3-carboxamide
CID 19829106
N-(1-cyclohexyl-1-oxobutan-2-yl)-1-methyl-4H-pyridine-3-carboxamide
CID 22402680
(2S,3S)-2-amino-3-methyl-N-[[4-oxo-3-(2-propan-2-ylhexanoyl)-1H-pyridin-2-yl]methyl]pentanamide
CID 57015964
N,5-dicyclohexyl-2-methyl-5-oxopent-3-enamide
CID 57258424
CID 58165359
CID 58165359
(E)-N-[2-[(E)-2-oxopent-3-enyl]cyclohexyl]but-2-enamide
CID 68372588
N-[(1S)-1-cyclohexyl-2-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoethyl]-1,4-dihydropyridine-2-carboxamide
CID 71129878
N-[[5,6-dioxo-2-(2-oxo-1-pyridinyl)cyclohexa-1,3-dien-1-yl]methyl]octanamide
CID 140997336

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexyl-4-oxobutyl)-2-methyl-1,4-dihydropyridine-3-carboxamide?
The IUPAC name of N-(4-cyclohexyl-4-oxobutyl)-2-methyl-1,4-dihydropyridine-3-carboxamide (CID 67676870) is N-(4-cyclohexyl-4-oxobutyl)-2-methyl-1,4-dihydropyridine-3-carboxamide.
What is the SMILES notation for N-(4-cyclohexyl-4-oxobutyl)-2-methyl-1,4-dihydropyridine-3-carboxamide?
The canonical SMILES for N-(4-cyclohexyl-4-oxobutyl)-2-methyl-1,4-dihydropyridine-3-carboxamide is CC1=C(C(=O)NCCCC(=O)C2CCCCC2)CC=CN1.
What is the InChIKey of N-(4-cyclohexyl-4-oxobutyl)-2-methyl-1,4-dihydropyridine-3-carboxamide?
The InChIKey is GPAOGLUXWIKXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-15(9-5-11-18-13)17(21)19-12-6-10-16(20)14-7-3-2-4-8-14/h5,11,14,18H,2-4,6-10,12H2,1H3,(H,19,21).
What are the key properties of N-(4-cyclohexyl-4-oxobutyl)-2-methyl-1,4-dihydropyridine-3-carboxamide?
N-(4-cyclohexyl-4-oxobutyl)-2-methyl-1,4-dihydropyridine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexyl-4-oxobutyl)-2-methyl-1,4-dihydropyridine-3-carboxamide is sourced from PubChem (CID 67676870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).