N-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide

C10H15N5O2 — CID 81256347

IUPACN-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide
SMILESNNc1ccncc1C(=O)NCCCC(N)=O
InChIInChI=1S/C10H15N5O2/c11-9(16)2-1-4-14-10(17)7-6-13-5-3-8(7)15-12/h3,5-6H,1-2,4,12H2,(H2,11,16)(H,13,15)(H,14,17)
InChIKeyIPDQFMFZLROJAK-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.64
Rot. Bonds6

About N-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide

N-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide (PubChem CID 81256347) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide
PubChem CID81256347
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide
SMILESNNc1ccncc1C(=O)NCCCC(N)=O
InChIInChI=1S/C10H15N5O2/c11-9(16)2-1-4-14-10(17)7-6-13-5-3-8(7)15-12/h3,5-6H,1-2,4,12H2,(H2,11,16)(H,13,15)(H,14,17)
InChIKeyIPDQFMFZLROJAK-UHFFFAOYSA-N
XLogP-0.64
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.64
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-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 115522203
N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81243085
4-hydrazinyl-N-(2-sulfamoylethyl)pyridine-3-carboxamide
CID 81256506
N-(4-amino-4-oxobutyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81256346
3-hydrazinyl-N-(4-methylpentyl)pyridine-4-carboxamide
CID 105072134
3-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-4-carboxamide
CID 105072384
3-hydrazinyl-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 105072201
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-hydrazinylpyridine-3-carboxamide
CID 106098486
N-(cyclopentylmethyl)-4-hydrazinylpyridine-3-carboxamide
CID 81256785
3-N-(3-iodopropyl)pyridine-3,4-dicarboxamide
CID 174671869
4-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
CID 114139724
4-hydrazinyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 81255921

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide (CID 81256347) is N-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide is NNc1ccncc1C(=O)NCCCC(N)=O.
What is the InChIKey of N-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide?
The InChIKey is IPDQFMFZLROJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c11-9(16)2-1-4-14-10(17)7-6-13-5-3-8(7)15-12/h3,5-6H,1-2,4,12H2,(H2,11,16)(H,13,15)(H,14,17).
What are the key properties of N-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide?
N-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.64, 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-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 81256347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).