N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide

C12H15N3O2 — CID 62875482

IUPACN-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide
SMILESCCN(CCC#N)C(=O)c1cccnc1OC
InChIInChI=1S/C12H15N3O2/c1-3-15(9-5-7-13)12(16)10-6-4-8-14-11(10)17-2/h4,6,8H,3,5,9H2,1-2H3
InChIKeyCLXWSSUREUQRPJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.47
Rot. Bonds5

About N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide

N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide (PubChem CID 62875482) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide
PubChem CID62875482
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide
SMILESCCN(CCC#N)C(=O)c1cccnc1OC
InChIInChI=1S/C12H15N3O2/c1-3-15(9-5-7-13)12(16)10-6-4-8-14-11(10)17-2/h4,6,8H,3,5,9H2,1-2H3
InChIKeyCLXWSSUREUQRPJ-UHFFFAOYSA-N
XLogP1.47
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide
CID 62161601
N,N-diethyl-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 23767035
N-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide
CID 63284776
N-(3-amino-2-methylpropyl)-N-ethyl-2-methoxypyridine-3-carboxamide
CID 62874297
N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 62503533
N-[2-(diethylamino)ethyl]-2-methoxypyridine-3-carboxamide
CID 15462606
N-[(2R)-2-cyanopropyl]-N-ethyl-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 95276539
N,N-bis(2-cyanoethyl)-2-ethoxybenzamide
CID 2207652
3-amino-2-bromo-N-(2-cyanoethyl)-N-ethylbenzamide
CID 113366975
2-[(2-methoxypyridine-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 79280456
2-amino-N-(2-cyanoethyl)-N-ethyl-4-methoxybenzamide
CID 113305145
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methoxypyridine-3-carboxamide
CID 107483009

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide (CID 62875482) is N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide is CCN(CCC#N)C(=O)c1cccnc1OC.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide?
The InChIKey is CLXWSSUREUQRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-15(9-5-7-13)12(16)10-6-4-8-14-11(10)17-2/h4,6,8H,3,5,9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide?
N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 62875482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).