N-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide

C13H19N5O — CID 62236256

IUPACN-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)c1cccnc1NN
InChIInChI=1S/C13H19N5O/c1-10(2)9-18(8-4-6-14)13(19)11-5-3-7-16-12(11)17-15/h3,5,7,10H,4,8-9,15H2,1-2H3,(H,16,17)
InChIKeyVBBHDDWJOPQQMA-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.38
Rot. Bonds6

About N-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide

N-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 62236256) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID62236256
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)c1cccnc1NN
InChIInChI=1S/C13H19N5O/c1-10(2)9-18(8-4-6-14)13(19)11-5-3-7-16-12(11)17-15/h3,5,7,10H,4,8-9,15H2,1-2H3,(H,16,17)
InChIKeyVBBHDDWJOPQQMA-UHFFFAOYSA-N
XLogP1.38
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide
CID 62247908
2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide
CID 60654639
2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79501523
2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzamide
CID 62662075
N-ethyl-2-hydrazinyl-N-propylpyridine-3-carboxamide
CID 62242635
2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide
CID 62161601
5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61114721
N-ethyl-2-hydrazinyl-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 62247153
2-hydrazinyl-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 62247512
2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114917914
5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114922574
6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 62160013

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide (CID 62236256) is N-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide is CC(C)CN(CCC#N)C(=O)c1cccnc1NN.
What is the InChIKey of N-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is VBBHDDWJOPQQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10(2)9-18(8-4-6-14)13(19)11-5-3-7-16-12(11)17-15/h3,5,7,10H,4,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide?
N-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 62236256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).