5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide

C11H12ClN5O — CID 114089447

IUPAC5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
SMILESNc1cnc(Cl)cc1C(=O)NCCn1cccn1
InChIInChI=1S/C11H12ClN5O/c12-10-6-8(9(13)7-15-10)11(18)14-3-5-17-4-1-2-16-17/h1-2,4,6-7H,3,5,13H2,(H,14,18)
InChIKeySMGACKDYRBLUGS-UHFFFAOYSA-N
MW265.70 g/mol
LogP0.94
Rot. Bonds4

About 5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide

5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide (PubChem CID 114089447) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
PubChem CID114089447
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
SMILESNc1cnc(Cl)cc1C(=O)NCCn1cccn1
InChIInChI=1S/C11H12ClN5O/c12-10-6-8(9(13)7-15-10)11(18)14-3-5-17-4-1-2-16-17/h1-2,4,6-7H,3,5,13H2,(H,14,18)
InChIKeySMGACKDYRBLUGS-UHFFFAOYSA-N
XLogP0.94
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954
4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951477
4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 81226293
2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 62186174
3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 107872526
4-hydrazinyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 81256862
6-methyl-4-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 81240692
5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
CID 114089461
4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112701067
2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 113347114
2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 62178675
2-amino-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115597314

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide (CID 114089447) is 5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide is Nc1cnc(Cl)cc1C(=O)NCCn1cccn1.
What is the InChIKey of 5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide?
The InChIKey is SMGACKDYRBLUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c12-10-6-8(9(13)7-15-10)11(18)14-3-5-17-4-1-2-16-17/h1-2,4,6-7H,3,5,13H2,(H,14,18).
What are the key properties of 5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide?
5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114089447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).