3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H15FN2O3 — CID 64951456

IUPAC3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCC(C(=O)O)C1)c1ccncc1F
InChIInChI=1S/C13H15FN2O3/c14-11-7-15-5-4-10(11)12(17)16-9-3-1-2-8(6-9)13(18)19/h4-5,7-9H,1-3,6H2,(H,16,17)(H,18,19)
InChIKeyIZWCPWHHNMXNKJ-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.59
Rot. Bonds3

About 3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64951456) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID64951456
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCC(C(=O)O)C1)c1ccncc1F
InChIInChI=1S/C13H15FN2O3/c14-11-7-15-5-4-10(11)12(17)16-9-3-1-2-8(6-9)13(18)19/h4-5,7-9H,1-3,6H2,(H,16,17)(H,18,19)
InChIKeyIZWCPWHHNMXNKJ-UHFFFAOYSA-N
XLogP1.59
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-3-fluoropyridine-4-carboxamide
CID 64950507
N-(3-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide
CID 115646195
N-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide
CID 64951103
3-fluoro-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950701
N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide
CID 64950869
3-fluoro-N-(2-methylcyclopropyl)pyridine-4-carboxamide
CID 115646459
3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride
CID 117073389
N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide
CID 115646668
cyclobutyl-(3-fluoro-4-pyridinyl)methanone
CID 119030457
3-[(2-chloro-3-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 81454437
3-[(3-methoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 105063233
3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950714

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 64951456) is 3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCCC(C(=O)O)C1)c1ccncc1F.
What is the InChIKey of 3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is IZWCPWHHNMXNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-11-7-15-5-4-10(11)12(17)16-9-3-1-2-8(6-9)13(18)19/h4-5,7-9H,1-3,6H2,(H,16,17)(H,18,19).
What are the key properties of 3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64951456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).