2-chloro-6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide

C13H14ClN5O — CID 62236748

IUPAC2-chloro-6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
SMILESNNc1cc(C(=O)NCCc2ccccn2)cc(Cl)n1
InChIInChI=1S/C13H14ClN5O/c14-11-7-9(8-12(18-11)19-15)13(20)17-6-4-10-3-1-2-5-16-10/h1-3,5,7-8H,4,6,15H2,(H,17,20)(H,18,19)
InChIKeyBFOPPWKAEGAPSW-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.39
Rot. Bonds5

About 2-chloro-6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide

2-chloro-6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide (PubChem CID 62236748) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-chloro-6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
PubChem CID62236748
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name2-chloro-6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
SMILESNNc1cc(C(=O)NCCc2ccccn2)cc(Cl)n1
InChIInChI=1S/C13H14ClN5O/c14-11-7-9(8-12(18-11)19-15)13(20)17-6-4-10-3-1-2-5-16-10/h1-3,5,7-8H,4,6,15H2,(H,17,20)(H,18,19)
InChIKeyBFOPPWKAEGAPSW-UHFFFAOYSA-N
XLogP1.39
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 62171208
2-chloro-N-[2-(2-fluorophenyl)ethyl]-6-hydrazinylpyridine-4-carboxamide
CID 62237463
2-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 62248961
N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62241958
N-(4-amino-4-oxobutyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62237080
5-chloro-2-hydrazinyl-N-(2-pyridin-2-ylethyl)benzamide
CID 62236376
N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 114162817
3-amino-N-(2-pyridin-2-ylethyl)benzamide
CID 24704285
2-chloro-6-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 62236272
3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973
2-chloro-6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyridine-4-carboxamide
CID 62236854
N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62248286

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide (CID 62236748) is 2-chloro-6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide is NNc1cc(C(=O)NCCc2ccccn2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The InChIKey is BFOPPWKAEGAPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c14-11-7-9(8-12(18-11)19-15)13(20)17-6-4-10-3-1-2-5-16-10/h1-3,5,7-8H,4,6,15H2,(H,17,20)(H,18,19).
What are the key properties of 2-chloro-6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
2-chloro-6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 62236748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).