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

C10H11N3O — CID 130174525

IUPACN-(2-cyanoethyl)-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)NCCC#N
InChIInChI=1S/C10H11N3O/c1-8-7-12-6-3-9(8)10(14)13-5-2-4-11/h3,6-7H,2,5H2,1H3,(H,13,14)
InChIKeyZRBIINGDVSLMGG-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.03
Rot. Bonds3

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

N-(2-cyanoethyl)-3-methylpyridine-4-carboxamide (PubChem CID 130174525) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-methylpyridine-4-carboxamide
PubChem CID130174525
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN-(2-cyanoethyl)-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)NCCC#N
InChIInChI=1S/C10H11N3O/c1-8-7-12-6-3-9(8)10(14)13-5-2-4-11/h3,6-7H,2,5H2,1H3,(H,13,14)
InChIKeyZRBIINGDVSLMGG-UHFFFAOYSA-N
XLogP1.03
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
3-methyl-N-[2-(2-phenylphenyl)ethyl]pyridine-4-carboxamide
CID 91120508
3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 118762993
N-(2-fluoroethyl)-4-methylpyridine-3-carboxamide
CID 89026003
2-bromo-N-(2-cyanoethyl)-5-methylbenzamide
CID 81109980
3-N,4-N-diethylpyridine-3,4-dicarboxamide
CID 14527703
N-(2-cyanoethyl)-2,4,6-trimethylbenzamide
CID 62666565
4-chloro-N-pent-3-ynylpyridine-3-carboxamide
CID 104581063
N-(2-cyanoethyl)-2-(triazol-2-yl)benzamide
CID 86713084
N-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide
CID 103865446
N-(2-cyanoethyl)-3-methylimidazole-4-carboxamide
CID 103510931
N-(1-bromopropan-2-yl)-3-methylpyridine-4-carboxamide
CID 126977624

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-methylpyridine-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-3-methylpyridine-4-carboxamide (CID 130174525) is N-(2-cyanoethyl)-3-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-3-methylpyridine-4-carboxamide is Cc1cnccc1C(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)-3-methylpyridine-4-carboxamide?
The InChIKey is ZRBIINGDVSLMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-8-7-12-6-3-9(8)10(14)13-5-2-4-11/h3,6-7H,2,5H2,1H3,(H,13,14).
What are the key properties of N-(2-cyanoethyl)-3-methylpyridine-4-carboxamide?
N-(2-cyanoethyl)-3-methylpyridine-4-carboxamide has a molecular weight of 189.22 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 130174525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).