2-fluoro-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid

C14H15FN2O3 — CID 106315819

IUPAC2-fluoro-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid
SMILESCC1=CCCN(C(=O)Nc2ccc(F)c(C(=O)O)c2)C1
InChIInChI=1S/C14H15FN2O3/c1-9-3-2-6-17(8-9)14(20)16-10-4-5-12(15)11(7-10)13(18)19/h3-5,7H,2,6,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyVVTMLSAUNDTMDG-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.71
Rot. Bonds2

About 2-fluoro-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid

2-fluoro-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid (PubChem CID 106315819) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-fluoro-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid
PubChem CID106315819
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name2-fluoro-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid
SMILESCC1=CCCN(C(=O)Nc2ccc(F)c(C(=O)O)c2)C1
InChIInChI=1S/C14H15FN2O3/c1-9-3-2-6-17(8-9)14(20)16-10-4-5-12(15)11(7-10)13(18)19/h3-5,7H,2,6,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyVVTMLSAUNDTMDG-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-[(3-oxopiperazine-1-carbonyl)amino]benzoic acid
CID 61181813
3-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid
CID 106315818
2-methyl-5-(pyrrolidine-1-carbonylamino)benzoic acid
CID 63654397
2-methyl-5-(piperidine-1-carbonylamino)benzoic acid
CID 63653011
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 106670762
5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid
CID 60750145
2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]piperazin-1-yl]acetic acid
CID 62812742
5-[(2-bromo-2-methylpropanoyl)amino]-2-fluorobenzoic acid
CID 114327952
2-fluoro-5-[[2-(prop-2-ynylamino)acetyl]amino]benzoic acid
CID 79286925
2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 107793053
2-[4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 106315758
5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
CID 60827610

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid (CID 106315819) is 2-fluoro-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid is CC1=CCCN(C(=O)Nc2ccc(F)c(C(=O)O)c2)C1.
What is the InChIKey of 2-fluoro-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid?
The InChIKey is VVTMLSAUNDTMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-9-3-2-6-17(8-9)14(20)16-10-4-5-12(15)11(7-10)13(18)19/h3-5,7H,2,6,8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-fluoro-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid?
2-fluoro-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid has a molecular weight of 278.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 106315819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).