5-cyano-N-ethyl-N-propylpyridine-2-carboxamide

C12H15N3O — CID 63717846

IUPAC5-cyano-N-ethyl-N-propylpyridine-2-carboxamide
SMILESCCCN(CC)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C12H15N3O/c1-3-7-15(4-2)12(16)11-6-5-10(8-13)9-14-11/h5-6,9H,3-4,7H2,1-2H3
InChIKeyCHTMTAQWHWVFKX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.83
Rot. Bonds4

About 5-cyano-N-ethyl-N-propylpyridine-2-carboxamide

5-cyano-N-ethyl-N-propylpyridine-2-carboxamide (PubChem CID 63717846) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-cyano-N-ethyl-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-ethyl-N-propylpyridine-2-carboxamide
PubChem CID63717846
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-cyano-N-ethyl-N-propylpyridine-2-carboxamide
SMILESCCCN(CC)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C12H15N3O/c1-3-7-15(4-2)12(16)11-6-5-10(8-13)9-14-11/h5-6,9H,3-4,7H2,1-2H3
InChIKeyCHTMTAQWHWVFKX-UHFFFAOYSA-N
XLogP1.83
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-5-cyano-N-ethylpyridine-2-carboxamide
CID 63719310
5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide
CID 63724052
methyl 3-[(5-cyanopyridine-2-carbonyl)-ethylamino]propanoate
CID 63717102
N-butyl-N-(2-chloroethyl)-5-cyanopyridine-2-carboxamide
CID 55230022
5-cyano-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
CID 107398621
5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide
CID 63718638
2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107423977
5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
CID 63724074
methyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate
CID 134023429
N-ethyl-5-hydrazinyl-N-propylpyridine-2-carboxamide
CID 104642611
N-(3-aminophenyl)-5-cyano-N-propylpyridine-2-carboxamide
CID 63723674
5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63722909

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-ethyl-N-propylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-ethyl-N-propylpyridine-2-carboxamide (CID 63717846) is 5-cyano-N-ethyl-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-ethyl-N-propylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-ethyl-N-propylpyridine-2-carboxamide is CCCN(CC)C(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-ethyl-N-propylpyridine-2-carboxamide?
The InChIKey is CHTMTAQWHWVFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-7-15(4-2)12(16)11-6-5-10(8-13)9-14-11/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of 5-cyano-N-ethyl-N-propylpyridine-2-carboxamide?
5-cyano-N-ethyl-N-propylpyridine-2-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-ethyl-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 63717846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).