6-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]amino]pyridine-2-carboxylic acid

C18H19ClFN3O2 — CID 122053759

IUPAC6-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC2CCCN(Cc3ccc(F)cc3Cl)C2)n1
InChIInChI=1S/C18H19ClFN3O2/c19-15-9-13(20)7-6-12(15)10-23-8-2-3-14(11-23)21-17-5-1-4-16(22-17)18(24)25/h1,4-7,9,14H,2-3,8,10-11H2,(H,21,22)(H,24,25)
InChIKeyCOPZSTPXZYSDKM-UHFFFAOYSA-N
MW363.82 g/mol
LogP3.65
Rot. Bonds5

About 6-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]amino]pyridine-2-carboxylic acid

6-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]amino]pyridine-2-carboxylic acid (PubChem CID 122053759) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is 6-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]amino]pyridine-2-carboxylic acid
PubChem CID122053759
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC Name6-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC2CCCN(Cc3ccc(F)cc3Cl)C2)n1
InChIInChI=1S/C18H19ClFN3O2/c19-15-9-13(20)7-6-12(15)10-23-8-2-3-14(11-23)21-17-5-1-4-16(22-17)18(24)25/h1,4-7,9,14H,2-3,8,10-11H2,(H,21,22)(H,24,25)
InChIKeyCOPZSTPXZYSDKM-UHFFFAOYSA-N
XLogP3.65
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]amino]pyridine-2-carboxylic acid with MolForge

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Related Compounds

1-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111116918
6-chloro-4-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]pyrimidine-2,4,5-triamine
CID 154877268
(2S)-2-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]butanamide
CID 119884082
1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119884065
1-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea
CID 146136430
(2R)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride
CID 119884047
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]acetamide;dihydrochloride
CID 119884077
N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide
CID 86936262
N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916869
(2S,5R)-5-(aminomethyl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxolane-2-carboxamide
CID 120800404
5-acetamido-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-2-hydroxybenzamide
CID 86937585
N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 33103568

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]amino]pyridine-2-carboxylic acid (CID 122053759) is 6-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]amino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NC2CCCN(Cc3ccc(F)cc3Cl)C2)n1.
What is the InChIKey of 6-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is COPZSTPXZYSDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c19-15-9-13(20)7-6-12(15)10-23-8-2-3-14(11-23)21-17-5-1-4-16(22-17)18(24)25/h1,4-7,9,14H,2-3,8,10-11H2,(H,21,22)(H,24,25).
What are the key properties of 6-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]amino]pyridine-2-carboxylic acid?
6-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 363.82 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).