1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H18N2O4 — CID 43350918

IUPAC1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1ccc(C(=O)NC2(C(=O)O)CCCCC2)cc1=O
InChIInChI=1S/C14H18N2O4/c1-16-8-5-10(9-11(16)17)12(18)15-14(13(19)20)6-3-2-4-7-14/h5,8-9H,2-4,6-7H2,1H3,(H,15,18)(H,19,20)
InChIKeySRDPZZOWIGGJQP-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.90
Rot. Bonds3

About 1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 43350918) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID43350918
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1ccc(C(=O)NC2(C(=O)O)CCCCC2)cc1=O
InChIInChI=1S/C14H18N2O4/c1-16-8-5-10(9-11(16)17)12(18)15-14(13(19)20)6-3-2-4-7-14/h5,8-9H,2-4,6-7H2,1H3,(H,15,18)(H,19,20)
InChIKeySRDPZZOWIGGJQP-UHFFFAOYSA-N
XLogP0.90
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[[6-ethyl-1-[[(6S)-6-fluoro-6-methylcyclohexa-2,4-dien-1-yl]methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 173496713
1-[[2-[2-Oxo-3-(trifluoromethyl)pyridin-1-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 71942702
Methyl 1-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate
CID 71845332
1-(2-Oxo-1,2-dihydropyridine-3-carboxamido)cyclohexane-1-carboxylic acid
CID 24691617
1-(6-Oxo-1,6-dihydropyridine-3-carboxamido)cyclohexane-1-carboxylic acid
CID 24698201
methyl 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 47141715
methyl 1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 57672828
1-(6-Oxo-1,6-dihydropyridine-2-carboxamido)cyclohexane-1-carboxylic acid
CID 57672867
1-[(1-Butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 67520083
1-[[1-(Cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 67520121

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 43350918) is 1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is Cn1ccc(C(=O)NC2(C(=O)O)CCCCC2)cc1=O.
What is the InChIKey of 1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is SRDPZZOWIGGJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-16-8-5-10(9-11(16)17)12(18)15-14(13(19)20)6-3-2-4-7-14/h5,8-9H,2-4,6-7H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43350918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).