3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride

C11H16Cl3N3O — CID 119426879

IUPAC3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCCNC1)c1ccncc1Cl
InChIInChI=1S/C11H14ClN3O.2ClH/c12-10-7-14-5-3-9(10)11(16)15-8-2-1-4-13-6-8;;/h3,5,7-8,13H,1-2,4,6H2,(H,15,16);2*1H
InChIKeyLTJCEUQXGSWLEP-UHFFFAOYSA-N
MW312.63 g/mol
LogP2.06
Rot. Bonds2

About 3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride

3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride (PubChem CID 119426879) has the molecular formula C11H16Cl3N3O and a molecular weight of 312.63 g/mol. Its IUPAC name is 3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride
PubChem CID119426879
Molecular FormulaC11H16Cl3N3O
Molecular Weight312.63 g/mol
Exact Mass311.04
IUPAC Name3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCCNC1)c1ccncc1Cl
InChIInChI=1S/C11H14ClN3O.2ClH/c12-10-7-14-5-3-9(10)11(16)15-8-2-1-4-13-6-8;;/h3,5,7-8,13H,1-2,4,6H2,(H,15,16);2*1H
InChIKeyLTJCEUQXGSWLEP-UHFFFAOYSA-N
XLogP2.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.63
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azepan-3-yl)-3-chloropyridine-4-carboxamide
CID 66482428
3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119452044
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407
4-bromo-2-chloro-N-piperidin-3-ylbenzamide
CID 63321001
3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide
CID 80564619
2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428069
5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 115044845
2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451115
N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide
CID 66482226
N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103121083
N-(azepan-4-yl)-2,4-dichlorobenzamide
CID 105058883
N-piperidin-3-yl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119424673

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride?
The IUPAC name of 3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride (CID 119426879) is 3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for 3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCCNC1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride?
The InChIKey is LTJCEUQXGSWLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O.2ClH/c12-10-7-14-5-3-9(10)11(16)15-8-2-1-4-13-6-8;;/h3,5,7-8,13H,1-2,4,6H2,(H,15,16);2*1H.
What are the key properties of 3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride?
3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride has a molecular weight of 312.63 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119426879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).