N-butyl-3-chloro-N-cyclopropyl-6-hydrazinylpyridine-2-carboxamide

C13H19ClN4O — CID 62237031

IUPACN-butyl-3-chloro-N-cyclopropyl-6-hydrazinylpyridine-2-carboxamide
SMILESCCCCN(C(=O)c1nc(NN)ccc1Cl)C1CC1
InChIInChI=1S/C13H19ClN4O/c1-2-3-8-18(9-4-5-9)13(19)12-10(14)6-7-11(16-12)17-15/h6-7,9H,2-5,8,15H2,1H3,(H,16,17)
InChIKeyXRKZMWHBBZUEAP-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.43
Rot. Bonds6

About N-butyl-3-chloro-N-cyclopropyl-6-hydrazinylpyridine-2-carboxamide

N-butyl-3-chloro-N-cyclopropyl-6-hydrazinylpyridine-2-carboxamide (PubChem CID 62237031) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is N-butyl-3-chloro-N-cyclopropyl-6-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-3-chloro-N-cyclopropyl-6-hydrazinylpyridine-2-carboxamide
PubChem CID62237031
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC NameN-butyl-3-chloro-N-cyclopropyl-6-hydrazinylpyridine-2-carboxamide
SMILESCCCCN(C(=O)c1nc(NN)ccc1Cl)C1CC1
InChIInChI=1S/C13H19ClN4O/c1-2-3-8-18(9-4-5-9)13(19)12-10(14)6-7-11(16-12)17-15/h6-7,9H,2-5,8,15H2,1H3,(H,16,17)
InChIKeyXRKZMWHBBZUEAP-UHFFFAOYSA-N
XLogP2.43
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-cyclopentyl-N-ethyl-6-hydrazinylpyridine-2-carboxamide
CID 62243034
N-butyl-N-cyclopropyl-6-hydrazinylpyridine-2-carboxamide
CID 62237201
3-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-(methylamino)pyridine-2-carboxamide
CID 62175803
3-chloro-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
CID 62237067
3-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide
CID 62235495
3-chloro-6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)pyridine-2-carboxamide
CID 62237373
N-butyl-N-cyclopropyl-3-hydrazinylpyridine-4-carboxamide
CID 105071708
3-chloro-6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 63235022
3-chloro-N-(2,2-dimethylpropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62243844
2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-cyclopropylamino]ethanol
CID 62890480
N-cyclopropyl-6-hydrazinyl-N-propylpyridine-3-carboxamide
CID 62243561
N-butyl-N-cyclopropyl-3-hydroxypyridine-2-carboxamide
CID 61443052

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-N-cyclopropyl-6-hydrazinylpyridine-2-carboxamide?
The IUPAC name of N-butyl-3-chloro-N-cyclopropyl-6-hydrazinylpyridine-2-carboxamide (CID 62237031) is N-butyl-3-chloro-N-cyclopropyl-6-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for N-butyl-3-chloro-N-cyclopropyl-6-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for N-butyl-3-chloro-N-cyclopropyl-6-hydrazinylpyridine-2-carboxamide is CCCCN(C(=O)c1nc(NN)ccc1Cl)C1CC1.
What is the InChIKey of N-butyl-3-chloro-N-cyclopropyl-6-hydrazinylpyridine-2-carboxamide?
The InChIKey is XRKZMWHBBZUEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-2-3-8-18(9-4-5-9)13(19)12-10(14)6-7-11(16-12)17-15/h6-7,9H,2-5,8,15H2,1H3,(H,16,17).
What are the key properties of N-butyl-3-chloro-N-cyclopropyl-6-hydrazinylpyridine-2-carboxamide?
N-butyl-3-chloro-N-cyclopropyl-6-hydrazinylpyridine-2-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloro-N-cyclopropyl-6-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 62237031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).