2-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid

C17H23N3O4 — CID 120532910

IUPAC2-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid
SMILESCNC(=O)c1ccc(C(=O)NC2CCCCCCC2C(=O)O)cn1
InChIInChI=1S/C17H23N3O4/c1-18-16(22)14-9-8-11(10-19-14)15(21)20-13-7-5-3-2-4-6-12(13)17(23)24/h8-10,12-13H,2-7H2,1H3,(H,18,22)(H,20,21)(H,23,24)
InChIKeyAJMCBBLLVKCRNF-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.59
Rot. Bonds4

About 2-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid

2-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid (PubChem CID 120532910) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid
PubChem CID120532910
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid
SMILESCNC(=O)c1ccc(C(=O)NC2CCCCCCC2C(=O)O)cn1
InChIInChI=1S/C17H23N3O4/c1-18-16(22)14-9-8-11(10-19-14)15(21)20-13-7-5-3-2-4-6-12(13)17(23)24/h8-10,12-13H,2-7H2,1H3,(H,18,22)(H,20,21)(H,23,24)
InChIKeyAJMCBBLLVKCRNF-UHFFFAOYSA-N
XLogP1.59
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428
trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161380
5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid
CID 43414727
(2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 120537319
2-[(3-chloro-4-fluorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 82872618
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
N-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide
CID 96528381
5-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 77005250
2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64815140
2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 114025733
2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64812501

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid?
The IUPAC name of 2-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid (CID 120532910) is 2-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid.
What is the SMILES notation for 2-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid?
The canonical SMILES for 2-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid is CNC(=O)c1ccc(C(=O)NC2CCCCCCC2C(=O)O)cn1.
What is the InChIKey of 2-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid?
The InChIKey is AJMCBBLLVKCRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-18-16(22)14-9-8-11(10-19-14)15(21)20-13-7-5-3-2-4-6-12(13)17(23)24/h8-10,12-13H,2-7H2,1H3,(H,18,22)(H,20,21)(H,23,24).
What are the key properties of 2-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid?
2-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid is sourced from PubChem (CID 120532910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).