N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide

C16H20N4O — CID 104642627

IUPACN-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide
SMILESCCCCc1ccc(NC(=O)c2ccc(NN)cn2)cc1
InChIInChI=1S/C16H20N4O/c1-2-3-4-12-5-7-13(8-6-12)19-16(21)15-10-9-14(20-17)11-18-15/h5-11,20H,2-4,17H2,1H3,(H,19,21)
InChIKeyXJBMGZJSTRYCBY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.96
Rot. Bonds6

About N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide

N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide (PubChem CID 104642627) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide
PubChem CID104642627
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide
SMILESCCCCc1ccc(NC(=O)c2ccc(NN)cn2)cc1
InChIInChI=1S/C16H20N4O/c1-2-3-4-12-5-7-13(8-6-12)19-16(21)15-10-9-14(20-17)11-18-15/h5-11,20H,2-4,17H2,1H3,(H,19,21)
InChIKeyXJBMGZJSTRYCBY-UHFFFAOYSA-N
XLogP2.96
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.96
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

5-hydrazinyl-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 104642279
5-[(4-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684737
N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide
CID 103803190
5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide
CID 63524951
5-hydrazinyl-N-phenylpyridine-2-carboxamide
CID 104642260
5-hydrazinyl-N-propylpyridine-2-carboxamide
CID 104642261
5-hydrazinyl-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 113436268
N-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride
CID 172619079
N-(3-ethylpentan-3-yl)-5-hydrazinylpyridine-2-carboxamide
CID 104642862
1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide
CID 107495955
4-[(5-butylpyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 172619009
N,N'-bis(4-butylphenyl)oxamide
CID 3438016

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide?
The IUPAC name of N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide (CID 104642627) is N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide is CCCCc1ccc(NC(=O)c2ccc(NN)cn2)cc1.
What is the InChIKey of N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide?
The InChIKey is XJBMGZJSTRYCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-3-4-12-5-7-13(8-6-12)19-16(21)15-10-9-14(20-17)11-18-15/h5-11,20H,2-4,17H2,1H3,(H,19,21).
What are the key properties of N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide?
N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 104642627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).