1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C22H34N2O4 — CID 67520083

IUPAC1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NC2(C(=O)O)CCCCC2)c1=O
InChIInChI=1S/C22H34N2O4/c1-4-7-14-24-18(11-5-2)16(6-3)15-17(20(24)26)19(25)23-22(21(27)28)12-9-8-10-13-22/h15H,4-14H2,1-3H3,(H,23,25)(H,27,28)
InChIKeyRGTVZPIGOLNCHC-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.68
Rot. Bonds9

About 1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 67520083) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is 1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID67520083
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NC2(C(=O)O)CCCCC2)c1=O
InChIInChI=1S/C22H34N2O4/c1-4-7-14-24-18(11-5-2)16(6-3)15-17(20(24)26)19(25)23-22(21(27)28)12-9-8-10-13-22/h15H,4-14H2,1-3H3,(H,23,25)(H,27,28)
InChIKeyRGTVZPIGOLNCHC-UHFFFAOYSA-N
XLogP3.68
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[(1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 70696000
1-butyl-5-ethyl-2-oxo-N-propan-2-yl-6-propylpyridine-3-carboxamide
CID 59718789
1-[(7-methoxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]cyclooctane-1-carboxylic acid
CID 142970273
1-butyl-5-ethyl-2-oxo-N-(2-phenylethyl)-6-propylpyridine-3-carboxamide
CID 23587815
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-butyl-5-ethyl-3-(hydroxymethyl)-6-propylpyridin-2-one
CID 70951226
1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 69472195
1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119350667
1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341634
1-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43639770
1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43639874
methyl 1-[(7-methoxy-2-oxo-1-propylquinoline-3-carbonyl)amino]cycloheptane-1-carboxylate
CID 142970265

Frequently Asked Questions

What is the IUPAC name of 1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 67520083) is 1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CCCCn1c(CCC)c(CC)cc(C(=O)NC2(C(=O)O)CCCCC2)c1=O.
What is the InChIKey of 1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is RGTVZPIGOLNCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-4-7-14-24-18(11-5-2)16(6-3)15-17(20(24)26)19(25)23-22(21(27)28)12-9-8-10-13-22/h15H,4-14H2,1-3H3,(H,23,25)(H,27,28).
What are the key properties of 1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 390.52 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 67520083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).