3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride

C13H20Cl3N3O — CID 119557407

IUPAC3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCCNC1)c1ccncc1Cl
InChIInChI=1S/C13H18ClN3O.2ClH/c14-12-9-16-6-4-11(12)13(18)17-7-3-10-2-1-5-15-8-10;;/h4,6,9-10,15H,1-3,5,7-8H2,(H,17,18);2*1H
InChIKeyMVHPDEVTIFJMBC-UHFFFAOYSA-N
MW340.68 g/mol
LogP2.70
Rot. Bonds4

About 3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride

3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride (PubChem CID 119557407) has the molecular formula C13H20Cl3N3O and a molecular weight of 340.68 g/mol. Its IUPAC name is 3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
PubChem CID119557407
Molecular FormulaC13H20Cl3N3O
Molecular Weight340.68 g/mol
Exact Mass339.07
IUPAC Name3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCCNC1)c1ccncc1Cl
InChIInChI=1S/C13H18ClN3O.2ClH/c14-12-9-16-6-4-11(12)13(18)17-7-3-10-2-1-5-15-8-10;;/h4,6,9-10,15H,1-3,5,7-8H2,(H,17,18);2*1H
InChIKeyMVHPDEVTIFJMBC-UHFFFAOYSA-N
XLogP2.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.68
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 81445403
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide
CID 80564619
3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119426879
3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide
CID 103714800
7-fluoro-N-(2-piperidin-3-ylethyl)isoquinoline-8-carboxamide
CID 155952445
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119452044
3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide
CID 124679731
5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide
CID 119558985
5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide
CID 119558118
N-(azepan-3-yl)-3-chloropyridine-4-carboxamide
CID 66482428

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of 3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride (CID 119557407) is 3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for 3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCC1CCCNC1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride?
The InChIKey is MVHPDEVTIFJMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O.2ClH/c14-12-9-16-6-4-11(12)13(18)17-7-3-10-2-1-5-15-8-10;;/h4,6,9-10,15H,1-3,5,7-8H2,(H,17,18);2*1H.
What are the key properties of 3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride?
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride has a molecular weight of 340.68 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119557407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).