6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid

C19H21FN4O3 — CID 122053596

IUPAC6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(NCC1CCCN(c2cccc(C(=O)O)n2)C1)Nc1cccc(F)c1
InChIInChI=1S/C19H21FN4O3/c20-14-5-1-6-15(10-14)22-19(27)21-11-13-4-3-9-24(12-13)17-8-2-7-16(23-17)18(25)26/h1-2,5-8,10,13H,3-4,9,11-12H2,(H,25,26)(H2,21,22,27)
InChIKeyMAXGNRDCMNCZGH-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.96
Rot. Bonds5

About 6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid

6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122053596) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122053596
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(NCC1CCCN(c2cccc(C(=O)O)n2)C1)Nc1cccc(F)c1
InChIInChI=1S/C19H21FN4O3/c20-14-5-1-6-15(10-14)22-19(27)21-11-13-4-3-9-24(12-13)17-8-2-7-16(23-17)18(25)26/h1-2,5-8,10,13H,3-4,9,11-12H2,(H,25,26)(H2,21,22,27)
InChIKeyMAXGNRDCMNCZGH-UHFFFAOYSA-N
XLogP2.96
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

1-(3-fluorophenyl)-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]urea
CID 95154909
1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride
CID 119761796
1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835568
1-[[(3S)-1-[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 52871823
1-[[1-(3-amino-3-phenylpropanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 119950913
(2R)-2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]propanamide
CID 95144992
1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 119310869
1-[[1-(2-amino-2-methylpropyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 120848105
N-[3-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]propanamide
CID 56504192
6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid
CID 122054364
1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea
CID 95249817
N-[[4-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]methyl]acetamide
CID 56504186

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid (CID 122053596) is 6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid is O=C(NCC1CCCN(c2cccc(C(=O)O)n2)C1)Nc1cccc(F)c1.
What is the InChIKey of 6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is MAXGNRDCMNCZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c20-14-5-1-6-15(10-14)22-19(27)21-11-13-4-3-9-24(12-13)17-8-2-7-16(23-17)18(25)26/h1-2,5-8,10,13H,3-4,9,11-12H2,(H,25,26)(H2,21,22,27).
What are the key properties of 6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 372.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).