3-chloro-6-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyridine-2-carboxylic acid

C17H25ClN4O2 — CID 50957400

IUPAC3-chloro-6-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESCCN1CCC(N2CCN(c3ccc(Cl)c(C(=O)O)n3)CC2)CC1
InChIInChI=1S/C17H25ClN4O2/c1-2-20-7-5-13(6-8-20)21-9-11-22(12-10-21)15-4-3-14(18)16(19-15)17(23)24/h3-4,13H,2,5-12H2,1H3,(H,23,24)
InChIKeyPPOBDYZXVMORCK-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.04
Rot. Bonds4

About 3-chloro-6-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyridine-2-carboxylic acid

3-chloro-6-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyridine-2-carboxylic acid (PubChem CID 50957400) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 3-chloro-6-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyridine-2-carboxylic acid
PubChem CID50957400
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name3-chloro-6-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESCCN1CCC(N2CCN(c3ccc(Cl)c(C(=O)O)n3)CC2)CC1
InChIInChI=1S/C17H25ClN4O2/c1-2-20-7-5-13(6-8-20)21-9-11-22(12-10-21)15-4-3-14(18)16(19-15)17(23)24/h3-4,13H,2,5-12H2,1H3,(H,23,24)
InChIKeyPPOBDYZXVMORCK-UHFFFAOYSA-N
XLogP2.04
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-Methylpiperazin-1-yl)pyridine-2-carboxylicacidhydrochloride
CID 57444906
6-(Dipropylamino)pyridine-2-carboxylic acid
CID 2402139
3-chloro-6-[(1S*,3R*)-3-hydroxy-1-methoxy-1-methyl-7-azaspiro[3.5]non-7-yl]-2-pyridinecarboxylic acid
CID 72925373
3-chloro-6-[(3R*,4R*)-3-hydroxy-3,4-dimethyl-1-pyrrolidinyl]-2-pyridinecarboxylic acid
CID 72934266
3-chloro-6-[4-[(1S)-1-hydroxy-3-phenylpropyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 97281236
6-[4-(2,2-Difluoroethyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 176084443
3-Fluoro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid
CID 176084664
3-Chloro-6-(2,2,2-trifluoroethylamino)pyridine-2-carboxylic acid
CID 28491655
3-Chloro-6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carboxylic acid
CID 28822094
3-Chloro-6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid
CID 55008659
3-Chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid
CID 55008715
3-Chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid
CID 55009157

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyridine-2-carboxylic acid (CID 50957400) is 3-chloro-6-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyridine-2-carboxylic acid is CCN1CCC(N2CCN(c3ccc(Cl)c(C(=O)O)n3)CC2)CC1.
What is the InChIKey of 3-chloro-6-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is PPOBDYZXVMORCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2/c1-2-20-7-5-13(6-8-20)21-9-11-22(12-10-21)15-4-3-14(18)16(19-15)17(23)24/h3-4,13H,2,5-12H2,1H3,(H,23,24).
What are the key properties of 3-chloro-6-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyridine-2-carboxylic acid?
3-chloro-6-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 352.87 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 50957400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).