N-(1-cyanoethyl)-6-methylpyridine-3-carboxamide

C10H11N3O — CID 61121839

IUPACN-(1-cyanoethyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)C#N)cn1
InChIInChI=1S/C10H11N3O/c1-7-3-4-9(6-12-7)10(14)13-8(2)5-11/h3-4,6,8H,1-2H3,(H,13,14)
InChIKeyJQXKYAMNQZJOJT-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.03
Rot. Bonds2

About N-(1-cyanoethyl)-6-methylpyridine-3-carboxamide

N-(1-cyanoethyl)-6-methylpyridine-3-carboxamide (PubChem CID 61121839) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N-(1-cyanoethyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-6-methylpyridine-3-carboxamide
PubChem CID61121839
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN-(1-cyanoethyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)C#N)cn1
InChIInChI=1S/C10H11N3O/c1-7-3-4-9(6-12-7)10(14)13-8(2)5-11/h3-4,6,8H,1-2H3,(H,13,14)
InChIKeyJQXKYAMNQZJOJT-UHFFFAOYSA-N
XLogP1.03
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

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Related Compounds

N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide
CID 55209186
(2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
CID 30066832
3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
CID 16784411
N-(1-cyanoethyl)pyrimidine-5-carboxamide
CID 104626690
N-(1-cyanoethyl)-4-propan-2-ylbenzamide
CID 61121040
N-[(2R)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 83031410
N-(1-chloro-3-methylbutan-2-yl)-6-methylpyridine-3-carboxamide
CID 114305415
N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide
CID 61247488
N-(1-cyanoethyl)-4-methoxybenzamide
CID 61119459
3-chloro-N-(1-cyanoethyl)-4-methylbenzamide
CID 63195497
5-[(6-methylpyridine-3-carbonyl)amino]hexanoic acid
CID 82855069
(2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 61173952

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(1-cyanoethyl)-6-methylpyridine-3-carboxamide (CID 61121839) is N-(1-cyanoethyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NC(C)C#N)cn1.
What is the InChIKey of N-(1-cyanoethyl)-6-methylpyridine-3-carboxamide?
The InChIKey is JQXKYAMNQZJOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-3-4-9(6-12-7)10(14)13-8(2)5-11/h3-4,6,8H,1-2H3,(H,13,14).
What are the key properties of N-(1-cyanoethyl)-6-methylpyridine-3-carboxamide?
N-(1-cyanoethyl)-6-methylpyridine-3-carboxamide has a molecular weight of 189.22 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 61121839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).