N-(4-amino-4-oxobutyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide

C11H17N5O2 — CID 81256346

IUPACN-(4-amino-4-oxobutyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
SMILESCc1cc(NN)c(C(=O)NCCCC(N)=O)cn1
InChIInChI=1S/C11H17N5O2/c1-7-5-9(16-13)8(6-15-7)11(18)14-4-2-3-10(12)17/h5-6H,2-4,13H2,1H3,(H2,12,17)(H,14,18)(H,15,16)
InChIKeyYYOQEGUGNPXOEH-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.33
Rot. Bonds6

About N-(4-amino-4-oxobutyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide

N-(4-amino-4-oxobutyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide (PubChem CID 81256346) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
PubChem CID81256346
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN-(4-amino-4-oxobutyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
SMILESCc1cc(NN)c(C(=O)NCCCC(N)=O)cn1
InChIInChI=1S/C11H17N5O2/c1-7-5-9(16-13)8(6-15-7)11(18)14-4-2-3-10(12)17/h5-6H,2-4,13H2,1H3,(H2,12,17)(H,14,18)(H,15,16)
InChIKeyYYOQEGUGNPXOEH-UHFFFAOYSA-N
XLogP-0.33
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydrazinyl-6-methyl-N-pentylpyridine-3-carboxamide
CID 81255877
N-[3-(dimethylamino)propyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81256000
N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81226130
4-hydrazinyl-N-[3-(2-methoxyethoxy)propyl]-6-methylpyridine-3-carboxamide
CID 114098389
N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243302
4-hydrazinyl-6-methyl-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 106340847
N-[3-(cyclopropylamino)-3-oxopropyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81249567
N-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide
CID 81256347
4-hydrazinyl-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 81255966
4-hydrazinyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methylpyridine-3-carboxamide
CID 81256702
N-[2-(ethylamino)-2-oxoethyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81256875
4-hydrazinyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 81256862

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide (CID 81256346) is N-(4-amino-4-oxobutyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide is Cc1cc(NN)c(C(=O)NCCCC(N)=O)cn1.
What is the InChIKey of N-(4-amino-4-oxobutyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide?
The InChIKey is YYOQEGUGNPXOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7-5-9(16-13)8(6-15-7)11(18)14-4-2-3-10(12)17/h5-6H,2-4,13H2,1H3,(H2,12,17)(H,14,18)(H,15,16).
What are the key properties of N-(4-amino-4-oxobutyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide?
N-(4-amino-4-oxobutyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81256346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).