2-[1-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid

C15H19FN2O3 — CID 104785541

IUPAC2-[1-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)c2cncc(F)c2)CCCCC1
InChIInChI=1S/C15H19FN2O3/c16-12-6-11(8-17-9-12)14(21)18-10-15(7-13(19)20)4-2-1-3-5-15/h6,8-9H,1-5,7,10H2,(H,18,21)(H,19,20)
InChIKeyPALKYVLQOOKIQW-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.38
Rot. Bonds5

About 2-[1-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid

2-[1-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid (PubChem CID 104785541) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[1-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
PubChem CID104785541
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-[1-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)c2cncc(F)c2)CCCCC1
InChIInChI=1S/C15H19FN2O3/c16-12-6-11(8-17-9-12)14(21)18-10-15(7-13(19)20)4-2-1-3-5-15/h6,8-9H,1-5,7,10H2,(H,18,21)(H,19,20)
InChIKeyPALKYVLQOOKIQW-UHFFFAOYSA-N
XLogP2.38
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(5-bromopyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81163589
2-[1-[[(5,8-difluoroquinoline-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 166317263
1-[(5-fluoropyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 104785488
3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701272
5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 104786143
2-[1-[[(5-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 104638357
2-[1-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 107013745
2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 114818940
N-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide
CID 103970220
2-[1-[[(2,3,4-trifluorobenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165406
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide
CID 113294750
2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164326

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid (CID 104785541) is 2-[1-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid is O=C(O)CC1(CNC(=O)c2cncc(F)c2)CCCCC1.
What is the InChIKey of 2-[1-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid?
The InChIKey is PALKYVLQOOKIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-12-6-11(8-17-9-12)14(21)18-10-15(7-13(19)20)4-2-1-3-5-15/h6,8-9H,1-5,7,10H2,(H,18,21)(H,19,20).
What are the key properties of 2-[1-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid?
2-[1-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid has a molecular weight of 294.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 104785541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).