N-(2-cyanoethyl)-4-hydrazinyl-N-methylpyridine-3-carboxamide

C10H13N5O — CID 81255891

IUPACN-(2-cyanoethyl)-4-hydrazinyl-N-methylpyridine-3-carboxamide
SMILESCN(CCC#N)C(=O)c1cnccc1NN
InChIInChI=1S/C10H13N5O/c1-15(6-2-4-11)10(16)8-7-13-5-3-9(8)14-12/h3,5,7H,2,6,12H2,1H3,(H,13,14)
InChIKeyCRBMOGMHMJVNRH-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.35
Rot. Bonds4

About N-(2-cyanoethyl)-4-hydrazinyl-N-methylpyridine-3-carboxamide

N-(2-cyanoethyl)-4-hydrazinyl-N-methylpyridine-3-carboxamide (PubChem CID 81255891) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-hydrazinyl-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4-hydrazinyl-N-methylpyridine-3-carboxamide
PubChem CID81255891
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC NameN-(2-cyanoethyl)-4-hydrazinyl-N-methylpyridine-3-carboxamide
SMILESCN(CCC#N)C(=O)c1cnccc1NN
InChIInChI=1S/C10H13N5O/c1-15(6-2-4-11)10(16)8-7-13-5-3-9(8)14-12/h3,5,7H,2,6,12H2,1H3,(H,13,14)
InChIKeyCRBMOGMHMJVNRH-UHFFFAOYSA-N
XLogP0.35
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.35
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

4-hydrazinyl-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide
CID 81256357
4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 81249905
N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949290
N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068056
5-chloro-N-(2-cyanoethyl)-2-hydrazinyl-N-methylbenzamide
CID 62238401
4-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 81249131
N-(2-hydroxypropyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81240291
1-(2-cyanoethyl)-1-methyl-3-(3-nitro-4-pyridinyl)urea
CID 75484284
4-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 81248561
N-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81238313
4-(ethylamino)-N-methyl-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 114238290
N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-3-nitrobenzamide
CID 112580647

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-hydrazinyl-N-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-4-hydrazinyl-N-methylpyridine-3-carboxamide (CID 81255891) is N-(2-cyanoethyl)-4-hydrazinyl-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-4-hydrazinyl-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-4-hydrazinyl-N-methylpyridine-3-carboxamide is CN(CCC#N)C(=O)c1cnccc1NN.
What is the InChIKey of N-(2-cyanoethyl)-4-hydrazinyl-N-methylpyridine-3-carboxamide?
The InChIKey is CRBMOGMHMJVNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-15(6-2-4-11)10(16)8-7-13-5-3-9(8)14-12/h3,5,7H,2,6,12H2,1H3,(H,13,14).
What are the key properties of N-(2-cyanoethyl)-4-hydrazinyl-N-methylpyridine-3-carboxamide?
N-(2-cyanoethyl)-4-hydrazinyl-N-methylpyridine-3-carboxamide has a molecular weight of 219.25 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4-hydrazinyl-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 81255891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).