2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

C14H17FN2O3 — CID 104785629

IUPAC2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1CCCCC1C(=O)O)c1cncc(F)c1
InChIInChI=1S/C14H17FN2O3/c15-11-5-10(6-16-8-11)13(18)17-7-9-3-1-2-4-12(9)14(19)20/h5-6,8-9,12H,1-4,7H2,(H,17,18)(H,19,20)
InChIKeyVWOICPYYAFHILI-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.84
Rot. Bonds4

About 2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 104785629) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID104785629
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1CCCCC1C(=O)O)c1cncc(F)c1
InChIInChI=1S/C14H17FN2O3/c15-11-5-10(6-16-8-11)13(18)17-7-9-3-1-2-4-12(9)14(19)20/h5-6,8-9,12H,1-4,7H2,(H,17,18)(H,19,20)
InChIKeyVWOICPYYAFHILI-UHFFFAOYSA-N
XLogP1.84
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide
CID 115737021
2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 104785617
2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113439196
5-fluoro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyridine-3-carboxamide
CID 129000479
trans-(1S,2R)-2-[[(3,4-dimethylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108732317
trans-(1S,2R)-2-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108755751
N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide
CID 104786596
N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide
CID 124844495
2-[[(2,3,4-trifluorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79757270
2-[[(2,5-dibromothiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107949287
N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide
CID 104786575
5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 104786143

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 104785629) is 2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is O=C(NCC1CCCCC1C(=O)O)c1cncc(F)c1.
What is the InChIKey of 2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is VWOICPYYAFHILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-11-5-10(6-16-8-11)13(18)17-7-9-3-1-2-4-12(9)14(19)20/h5-6,8-9,12H,1-4,7H2,(H,17,18)(H,19,20).
What are the key properties of 2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104785629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).