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

C21H32N2O4 — CID 143720861

IUPAC1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCCc1c(C)cc(C(=O)NC2(C(=O)O)CCCCC2)c(=O)n1CCC(C)C
InChIInChI=1S/C21H32N2O4/c1-5-17-15(4)13-16(19(25)23(17)12-9-14(2)3)18(24)22-21(20(26)27)10-7-6-8-11-21/h13-14H,5-12H2,1-4H3,(H,22,24)(H,26,27)
InChIKeyIKKLQIMLHKILON-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.28
Rot. Bonds7

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

1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 143720861) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID143720861
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCCc1c(C)cc(C(=O)NC2(C(=O)O)CCCCC2)c(=O)n1CCC(C)C
InChIInChI=1S/C21H32N2O4/c1-5-17-15(4)13-16(19(25)23(17)12-9-14(2)3)18(24)22-21(20(26)27)10-7-6-8-11-21/h13-14H,5-12H2,1-4H3,(H,22,24)(H,26,27)
InChIKeyIKKLQIMLHKILON-UHFFFAOYSA-N
XLogP3.28
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-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-[[2-Oxo-1-(oxolan-2-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 69472197
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
2-[[2-[[1-(Cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]-2-methylpropanoyl]amino]acetic acid
CID 67520284

Frequently Asked Questions

What is the IUPAC name of 1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 143720861) is 1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is CCc1c(C)cc(C(=O)NC2(C(=O)O)CCCCC2)c(=O)n1CCC(C)C.
What is the InChIKey of 1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is IKKLQIMLHKILON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-5-17-15(4)13-16(19(25)23(17)12-9-14(2)3)18(24)22-21(20(26)27)10-7-6-8-11-21/h13-14H,5-12H2,1-4H3,(H,22,24)(H,26,27).
What are the key properties of 1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 376.50 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 143720861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).