1-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

C23H34N2O4 — CID 67520121

IUPAC1-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCCc1c(C)cc(C(=O)NC2(C(=O)O)CCCCC2)c(=O)n1CC1CCCCC1
InChIInChI=1S/C23H34N2O4/c1-3-19-16(2)14-18(21(27)25(19)15-17-10-6-4-7-11-17)20(26)24-23(22(28)29)12-8-5-9-13-23/h14,17H,3-13,15H2,1-2H3,(H,24,26)(H,28,29)
InChIKeyMBOCJCLMCANTMA-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.82
Rot. Bonds6

About 1-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

1-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 67520121) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID67520121
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Name1-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCCc1c(C)cc(C(=O)NC2(C(=O)O)CCCCC2)c(=O)n1CC1CCCCC1
InChIInChI=1S/C23H34N2O4/c1-3-19-16(2)14-18(21(27)25(19)15-17-10-6-4-7-11-17)20(26)24-23(22(28)29)12-8-5-9-13-23/h14,17H,3-13,15H2,1-2H3,(H,24,26)(H,28,29)
InChIKeyMBOCJCLMCANTMA-UHFFFAOYSA-N
XLogP3.82
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[[1-(Cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid
CID 70689694
2-[[1-(Cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]-2-methylpropanoic acid
CID 59718742
(2S)-2-[[1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]-3-methylbutanoic acid
CID 67520157
1-[[1-(Cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 67520222
1-[(5-Bromo-1-butyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 70683383
1-[[1-(Cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 70689695
(2S)-2-cyclohexyl-2-[[1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]acetic acid
CID 70689696
1-[(1-Butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 70691826
1-[(1-Butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 70696000
1-[[1-(2-Methoxyethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 70696001
1-[[1-[(1-Ethylpyrrolidin-2-yl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 69474632
1-[[6-Ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-difluorocyclohexane-1-carboxylic acid
CID 69474469

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 67520121) is 1-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is CCc1c(C)cc(C(=O)NC2(C(=O)O)CCCCC2)c(=O)n1CC1CCCCC1.
What is the InChIKey of 1-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is MBOCJCLMCANTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-3-19-16(2)14-18(21(27)25(19)15-17-10-6-4-7-11-17)20(26)24-23(22(28)29)12-8-5-9-13-23/h14,17H,3-13,15H2,1-2H3,(H,24,26)(H,28,29).
What are the key properties of 1-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
1-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 402.54 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 67520121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).