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

C22H32N2O4 — CID 69472195

IUPAC1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2(C(=O)O)CCCCC2)c(=O)n(CC2CCCCC2)c1C
InChIInChI=1S/C22H32N2O4/c1-15-13-18(19(25)23-22(21(27)28)11-7-4-8-12-22)20(26)24(16(15)2)14-17-9-5-3-6-10-17/h13,17H,3-12,14H2,1-2H3,(H,23,25)(H,27,28)
InChIKeyKJAOUIUNOPNAKS-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.56
Rot. Bonds5

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

1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 69472195) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID69472195
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2(C(=O)O)CCCCC2)c(=O)n(CC2CCCCC2)c1C
InChIInChI=1S/C22H32N2O4/c1-15-13-18(19(25)23-22(21(27)28)11-7-4-8-12-22)20(26)24(16(15)2)14-17-9-5-3-6-10-17/h13,17H,3-12,14H2,1-2H3,(H,23,25)(H,27,28)
InChIKeyKJAOUIUNOPNAKS-UHFFFAOYSA-N
XLogP3.56
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 69472195) is 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is Cc1cc(C(=O)NC2(C(=O)O)CCCCC2)c(=O)n(CC2CCCCC2)c1C.
What is the InChIKey of 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is KJAOUIUNOPNAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-15-13-18(19(25)23-22(21(27)28)11-7-4-8-12-22)20(26)24(16(15)2)14-17-9-5-3-6-10-17/h13,17H,3-12,14H2,1-2H3,(H,23,25)(H,27,28).
What are the key properties of 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 388.51 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 69472195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).