6-chloro-5-piperazin-1-yl-N-pyrrolidin-1-ylpyridine-2-carboxamide

C14H20ClN5O — CID 178131938

IUPAC6-chloro-5-piperazin-1-yl-N-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESO=C(NN1CCCC1)c1ccc(N2CCNCC2)c(Cl)n1
InChIInChI=1S/C14H20ClN5O/c15-13-12(19-9-5-16-6-10-19)4-3-11(17-13)14(21)18-20-7-1-2-8-20/h3-4,16H,1-2,5-10H2,(H,18,21)
InChIKeyXXSMVUNUMKLADW-UHFFFAOYSA-N
MW309.80 g/mol
LogP0.89
Rot. Bonds3

About 6-chloro-5-piperazin-1-yl-N-pyrrolidin-1-ylpyridine-2-carboxamide

6-chloro-5-piperazin-1-yl-N-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 178131938) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is 6-chloro-5-piperazin-1-yl-N-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-5-piperazin-1-yl-N-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID178131938
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name6-chloro-5-piperazin-1-yl-N-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESO=C(NN1CCCC1)c1ccc(N2CCNCC2)c(Cl)n1
InChIInChI=1S/C14H20ClN5O/c15-13-12(19-9-5-16-6-10-19)4-3-11(17-13)14(21)18-20-7-1-2-8-20/h3-4,16H,1-2,5-10H2,(H,18,21)
InChIKeyXXSMVUNUMKLADW-UHFFFAOYSA-N
XLogP0.89
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-5-piperazin-1-yl-N-pyrrolidin-1-ylpyridine-2-carboxamide 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

6-chloro-N-(3,3-difluoroazetidin-1-yl)-5-piperazin-1-ylpyridine-2-carboxamide
CID 178131806
6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide
CID 172815704
ethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 168900115
6-fluoro-5-piperidin-4-yloxy-N-pyrrolidin-1-ylpyridine-2-carboxamide;dihydrochloride
CID 178132053
N-piperidin-1-ylquinoline-2-carboxamide
CID 9270998
6-cyano-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 166021778
5-bromo-N-pyrrolidin-1-ylpyridine-2-carboxamide
CID 86031906
N-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 168957491
N-pyrrolidin-1-ylpyridine-2-carboxamide
CID 19710906
2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 143750716
N-chloro-6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 176885546
2,6-dichloro-N-piperidin-1-ylpyridine-4-carboxamide
CID 2781660

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-piperazin-1-yl-N-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-5-piperazin-1-yl-N-pyrrolidin-1-ylpyridine-2-carboxamide (CID 178131938) is 6-chloro-5-piperazin-1-yl-N-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-5-piperazin-1-yl-N-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-5-piperazin-1-yl-N-pyrrolidin-1-ylpyridine-2-carboxamide is O=C(NN1CCCC1)c1ccc(N2CCNCC2)c(Cl)n1.
What is the InChIKey of 6-chloro-5-piperazin-1-yl-N-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is XXSMVUNUMKLADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c15-13-12(19-9-5-16-6-10-19)4-3-11(17-13)14(21)18-20-7-1-2-8-20/h3-4,16H,1-2,5-10H2,(H,18,21).
What are the key properties of 6-chloro-5-piperazin-1-yl-N-pyrrolidin-1-ylpyridine-2-carboxamide?
6-chloro-5-piperazin-1-yl-N-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-piperazin-1-yl-N-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 178131938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).