N-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide

C12H17N5O — CID 62247908

IUPACN-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide
SMILESCCN(CC(C)C#N)C(=O)c1cccnc1NN
InChIInChI=1S/C12H17N5O/c1-3-17(8-9(2)7-13)12(18)10-5-4-6-15-11(10)16-14/h4-6,9H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyOGRYMLHUUQKTRW-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.99
Rot. Bonds5

About N-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide

N-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide (PubChem CID 62247908) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide
PubChem CID62247908
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide
SMILESCCN(CC(C)C#N)C(=O)c1cccnc1NN
InChIInChI=1S/C12H17N5O/c1-3-17(8-9(2)7-13)12(18)10-5-4-6-15-11(10)16-14/h4-6,9H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyOGRYMLHUUQKTRW-UHFFFAOYSA-N
XLogP0.99
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.99
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

2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide
CID 62186486
2-bromo-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide
CID 113255171
N-ethyl-2-hydrazinyl-N-propylpyridine-3-carboxamide
CID 62242635
N-[(2R)-2-cyanopropyl]-N-ethyl-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 95276539
N-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62236256
N-ethyl-2-hydrazinyl-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 62247153
5-chloro-N-[(2R)-2-cyanopropyl]-N-ethylquinoline-8-carboxamide
CID 95281732
N-(2-cyanopropyl)-N-ethyl-2,3-dihydroxybenzamide
CID 114343549
N-(2-cyanopropyl)-N-ethyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105385733
N-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide
CID 62248085
2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79501523
3-chloro-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 66463593

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide (CID 62247908) is N-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide is CCN(CC(C)C#N)C(=O)c1cccnc1NN.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide?
The InChIKey is OGRYMLHUUQKTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-17(8-9(2)7-13)12(18)10-5-4-6-15-11(10)16-14/h4-6,9H,3,8,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide?
N-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 62247908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).