N-butan-2-yl-5-chloro-N-ethyl-6-hydrazinylpyridine-3-carboxamide

C12H19ClN4O — CID 62243923

IUPACN-butan-2-yl-5-chloro-N-ethyl-6-hydrazinylpyridine-3-carboxamide
SMILESCCC(C)N(CC)C(=O)c1cnc(NN)c(Cl)c1
InChIInChI=1S/C12H19ClN4O/c1-4-8(3)17(5-2)12(18)9-6-10(13)11(16-14)15-7-9/h6-8H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyQETKRFXOZALYJO-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.28
Rot. Bonds5

About N-butan-2-yl-5-chloro-N-ethyl-6-hydrazinylpyridine-3-carboxamide

N-butan-2-yl-5-chloro-N-ethyl-6-hydrazinylpyridine-3-carboxamide (PubChem CID 62243923) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is N-butan-2-yl-5-chloro-N-ethyl-6-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-chloro-N-ethyl-6-hydrazinylpyridine-3-carboxamide
PubChem CID62243923
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC NameN-butan-2-yl-5-chloro-N-ethyl-6-hydrazinylpyridine-3-carboxamide
SMILESCCC(C)N(CC)C(=O)c1cnc(NN)c(Cl)c1
InChIInChI=1S/C12H19ClN4O/c1-4-8(3)17(5-2)12(18)9-6-10(13)11(16-14)15-7-9/h6-8H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyQETKRFXOZALYJO-UHFFFAOYSA-N
XLogP2.28
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.28
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

5-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 103191193
N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide
CID 43274566
5-chloro-6-hydrazinyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 62242464
5-chloro-6-hydrazinyl-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
CID 62236246
5-chloro-N-ethyl-6-(ethylamino)-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 62180115
5-chloro-6-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62243427
5-chloro-6-hydrazinyl-N-pentan-3-ylpyridine-3-carboxamide
CID 62247358
N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide
CID 43274567
5-chloro-N-cyclopropyl-6-hydrazinyl-N-propylpyridine-3-carboxamide
CID 62243745
5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
CID 62180091
5-chloro-N-(2-ethoxyethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide
CID 81073870
5-chloro-6-hydrazinyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62243839

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-chloro-N-ethyl-6-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-chloro-N-ethyl-6-hydrazinylpyridine-3-carboxamide (CID 62243923) is N-butan-2-yl-5-chloro-N-ethyl-6-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-chloro-N-ethyl-6-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-chloro-N-ethyl-6-hydrazinylpyridine-3-carboxamide is CCC(C)N(CC)C(=O)c1cnc(NN)c(Cl)c1.
What is the InChIKey of N-butan-2-yl-5-chloro-N-ethyl-6-hydrazinylpyridine-3-carboxamide?
The InChIKey is QETKRFXOZALYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-4-8(3)17(5-2)12(18)9-6-10(13)11(16-14)15-7-9/h6-8H,4-5,14H2,1-3H3,(H,15,16).
What are the key properties of N-butan-2-yl-5-chloro-N-ethyl-6-hydrazinylpyridine-3-carboxamide?
N-butan-2-yl-5-chloro-N-ethyl-6-hydrazinylpyridine-3-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-chloro-N-ethyl-6-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 62243923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).