N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide

C13H15N3O2 — CID 105063440

IUPACN-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C13H15N3O2/c1-18-12-9-15-7-5-11(12)13(17)16(8-2-6-14)10-3-4-10/h5,7,9-10H,2-4,8H2,1H3
InChIKeyZUBMTOYCIBLZIA-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.61
Rot. Bonds5

About N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide

N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide (PubChem CID 105063440) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide
PubChem CID105063440
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C13H15N3O2/c1-18-12-9-15-7-5-11(12)13(17)16(8-2-6-14)10-3-4-10/h5,7,9-10H,2-4,8H2,1H3
InChIKeyZUBMTOYCIBLZIA-UHFFFAOYSA-N
XLogP1.61
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide
CID 105064483
N-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide
CID 105069192
N-(cyanomethyl)-N-ethyl-3-methoxypyridine-4-carboxamide
CID 105063443
N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide
CID 112702167
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide
CID 78998920
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide
CID 54982144
N-ethyl-3-methoxy-N-piperidin-3-ylpyridine-4-carboxamide
CID 105064085
3-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482566
N-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105385444
N-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide
CID 54997264
N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide
CID 105064491
N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104625544

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide (CID 105063440) is N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)N(CCC#N)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide?
The InChIKey is ZUBMTOYCIBLZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-12-9-15-7-5-11(12)13(17)16(8-2-6-14)10-3-4-10/h5,7,9-10H,2-4,8H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide?
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.61, 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-cyclopropyl-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105063440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).