N-(3-ethylpentan-3-yl)-5-hydrazinylpyridine-2-carboxamide

C13H22N4O — CID 104642862

IUPACN-(3-ethylpentan-3-yl)-5-hydrazinylpyridine-2-carboxamide
SMILESCCC(CC)(CC)NC(=O)c1ccc(NN)cn1
InChIInChI=1S/C13H22N4O/c1-4-13(5-2,6-3)16-12(18)11-8-7-10(17-14)9-15-11/h7-9,17H,4-6,14H2,1-3H3,(H,16,18)
InChIKeyGYOAKBRBLVJFIY-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.07
Rot. Bonds6

About N-(3-ethylpentan-3-yl)-5-hydrazinylpyridine-2-carboxamide

N-(3-ethylpentan-3-yl)-5-hydrazinylpyridine-2-carboxamide (PubChem CID 104642862) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-5-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-5-hydrazinylpyridine-2-carboxamide
PubChem CID104642862
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(3-ethylpentan-3-yl)-5-hydrazinylpyridine-2-carboxamide
SMILESCCC(CC)(CC)NC(=O)c1ccc(NN)cn1
InChIInChI=1S/C13H22N4O/c1-4-13(5-2,6-3)16-12(18)11-8-7-10(17-14)9-15-11/h7-9,17H,4-6,14H2,1-3H3,(H,16,18)
InChIKeyGYOAKBRBLVJFIY-UHFFFAOYSA-N
XLogP2.07
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.07
H-Bond Donors ≤ 53
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

N-tert-butyl-5-hydrazinylpyridine-2-carboxamide
CID 104642324
5-hydrazinyl-N-propylpyridine-2-carboxamide
CID 104642261
5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
CID 113435003
5-hydrazinyl-N-(2-phenylpropan-2-yl)pyridine-2-carboxamide
CID 114264154
5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 65043816
N,N-diethyl-5-hydrazinylpyridine-2-carboxamide
CID 104642323
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide
CID 55153816
N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642627
5-hydrazinyl-N-phenylpyridine-2-carboxamide
CID 104642260
N-(3-ethylpentan-3-yl)-6-hydrazinylpyridine-3-carboxamide
CID 65042874
5-hydrazinyl-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 113436268
5-hydrazinyl-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 104642834

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-5-hydrazinylpyridine-2-carboxamide?
The IUPAC name of N-(3-ethylpentan-3-yl)-5-hydrazinylpyridine-2-carboxamide (CID 104642862) is N-(3-ethylpentan-3-yl)-5-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-5-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)-5-hydrazinylpyridine-2-carboxamide is CCC(CC)(CC)NC(=O)c1ccc(NN)cn1.
What is the InChIKey of N-(3-ethylpentan-3-yl)-5-hydrazinylpyridine-2-carboxamide?
The InChIKey is GYOAKBRBLVJFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-13(5-2,6-3)16-12(18)11-8-7-10(17-14)9-15-11/h7-9,17H,4-6,14H2,1-3H3,(H,16,18).
What are the key properties of N-(3-ethylpentan-3-yl)-5-hydrazinylpyridine-2-carboxamide?
N-(3-ethylpentan-3-yl)-5-hydrazinylpyridine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-5-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 104642862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).