N-(2-cyanoethyl)-5-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide

C12H17N5O2 — CID 104642764

IUPACN-(2-cyanoethyl)-5-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1ccc(NN)cn1
InChIInChI=1S/C12H17N5O2/c1-19-8-7-17(6-2-5-13)12(18)11-4-3-10(16-14)9-15-11/h3-4,9,16H,2,6-8,14H2,1H3
InChIKeyDYTQIDHCRJMJBZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.37
Rot. Bonds7

About N-(2-cyanoethyl)-5-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide

N-(2-cyanoethyl)-5-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 104642764) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(2-cyanoethyl)-5-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-5-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID104642764
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-(2-cyanoethyl)-5-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1ccc(NN)cn1
InChIInChI=1S/C12H17N5O2/c1-19-8-7-17(6-2-5-13)12(18)11-4-3-10(16-14)9-15-11/h3-4,9,16H,2,6-8,14H2,1H3
InChIKeyDYTQIDHCRJMJBZ-UHFFFAOYSA-N
XLogP0.37
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-cyanoethyl)-4-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 63286908
N,N-diethyl-5-hydrazinylpyridine-2-carboxamide
CID 104642323
N-ethyl-5-hydrazinyl-N-propylpyridine-2-carboxamide
CID 104642611
N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide
CID 63286998
N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 63978805
N-(2-cyanoethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
CID 104639804
2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105386249
5-(N'-hydroxycarbamimidoyl)-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide
CID 76951862
5-hydrazinyl-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 104642834
1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 63285915
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide
CID 55172677
4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 81227229

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-5-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-5-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide (CID 104642764) is N-(2-cyanoethyl)-5-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-5-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-5-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide is COCCN(CCC#N)C(=O)c1ccc(NN)cn1.
What is the InChIKey of N-(2-cyanoethyl)-5-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is DYTQIDHCRJMJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-19-8-7-17(6-2-5-13)12(18)11-4-3-10(16-14)9-15-11/h3-4,9,16H,2,6-8,14H2,1H3.
What are the key properties of N-(2-cyanoethyl)-5-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide?
N-(2-cyanoethyl)-5-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-5-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 104642764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).