6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid

C17H16FN3O3 — CID 150226068

IUPAC6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid
SMILESNCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)O)cn1
InChIInChI=1S/C17H16FN3O3/c18-14-6-10(16(22)21-11-2-3-11)5-12(13(14)7-19)15-4-1-9(8-20-15)17(23)24/h1,4-6,8,11H,2-3,7,19H2,(H,21,22)(H,23,24)
InChIKeyFUMJQWIVYKEMSR-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.94
Rot. Bonds5

About 6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid

6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid (PubChem CID 150226068) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid
PubChem CID150226068
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid
SMILESNCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)O)cn1
InChIInChI=1S/C17H16FN3O3/c18-14-6-10(16(22)21-11-2-3-11)5-12(13(14)7-19)15-4-1-9(8-20-15)17(23)24/h1,4-6,8,11H,2-3,7,19H2,(H,21,22)(H,23,24)
InChIKeyFUMJQWIVYKEMSR-UHFFFAOYSA-N
XLogP1.94
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 174478722
6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide
CID 68680738
6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224277
6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide
CID 135283535
3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 58919696
N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide
CID 53111052
3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide
CID 58919712
3-bromo-N-cyclopropyl-5-fluoro-4-methylbenzamide;3-fluoro-4-methylbenzoic acid
CID 161026057
6-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid
CID 53222880
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butylcarbamic acid
CID 67267712
4-[3-(cyclopropylamino)-3-oxopropoxy]-3-fluorobenzoic acid
CID 107690083

Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid (CID 150226068) is 6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid is NCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid?
The InChIKey is FUMJQWIVYKEMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-14-6-10(16(22)21-11-2-3-11)5-12(13(14)7-19)15-4-1-9(8-20-15)17(23)24/h1,4-6,8,11H,2-3,7,19H2,(H,21,22)(H,23,24).
What are the key properties of 6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid?
6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid has a molecular weight of 329.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 150226068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).