5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide

C11H12ClN5O — CID 114158282

IUPAC5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)ncc1N)c1cn[nH]c1
InChIInChI=1S/C11H12ClN5O/c1-6(7-3-15-16-4-7)17-11(18)8-2-10(12)14-5-9(8)13/h2-6H,13H2,1H3,(H,15,16)(H,17,18)
InChIKeyKPSDJNXGQSTWQE-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.53
Rot. Bonds3

About 5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide

5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide (PubChem CID 114158282) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
PubChem CID114158282
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)ncc1N)c1cn[nH]c1
InChIInChI=1S/C11H12ClN5O/c1-6(7-3-15-16-4-7)17-11(18)8-2-10(12)14-5-9(8)13/h2-6H,13H2,1H3,(H,15,16)(H,17,18)
InChIKeyKPSDJNXGQSTWQE-UHFFFAOYSA-N
XLogP1.53
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-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

2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208042
3-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 114158286
3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114159645
2-amino-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106218076
2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103855757
5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208086
2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide
CID 114089470
4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 103856316
2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 114918156
5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 106218044
6-methyl-4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 106218085

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide (CID 114158282) is 5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1cc(Cl)ncc1N)c1cn[nH]c1.
What is the InChIKey of 5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is KPSDJNXGQSTWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-6(7-3-15-16-4-7)17-11(18)8-2-10(12)14-5-9(8)13/h2-6H,13H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide?
5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114158282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).