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

C10H14Cl3N3O — CID 119452044

IUPAC3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCNC1)c1ccncc1Cl
InChIInChI=1S/C10H12ClN3O.2ClH/c11-9-6-13-4-2-8(9)10(15)14-7-1-3-12-5-7;;/h2,4,6-7,12H,1,3,5H2,(H,14,15);2*1H
InChIKeyOZCVMZVKVNEJMS-UHFFFAOYSA-N
MW298.60 g/mol
LogP1.67
Rot. Bonds2

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

3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride (PubChem CID 119452044) has the molecular formula C10H14Cl3N3O and a molecular weight of 298.60 g/mol. Its IUPAC name is 3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
PubChem CID119452044
Molecular FormulaC10H14Cl3N3O
Molecular Weight298.60 g/mol
Exact Mass297.02
IUPAC Name3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCNC1)c1ccncc1Cl
InChIInChI=1S/C10H12ClN3O.2ClH/c11-9-6-13-4-2-8(9)10(15)14-7-1-3-12-5-7;;/h2,4,6-7,12H,1,3,5H2,(H,14,15);2*1H
InChIKeyOZCVMZVKVNEJMS-UHFFFAOYSA-N
XLogP1.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.60
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119426879
N-(azepan-3-yl)-3-chloropyridine-4-carboxamide
CID 66482428
2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451115
3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide
CID 80564619
3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride
CID 117073389
N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide
CID 66482226
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407
3-chloro-N-(3,5-dimethylcyclohexyl)pyridine-4-carboxamide
CID 66482604
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 66484717
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
N-pyrrolidin-3-ylisoquinoline-7-carboxamide
CID 18337236

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride?
The IUPAC name of 3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride (CID 119452044) is 3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for 3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCNC1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride?
The InChIKey is OZCVMZVKVNEJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O.2ClH/c11-9-6-13-4-2-8(9)10(15)14-7-1-3-12-5-7;;/h2,4,6-7,12H,1,3,5H2,(H,14,15);2*1H.
What are the key properties of 3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride?
3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride has a molecular weight of 298.60 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119452044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).