5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide

C16H16N4O — CID 63723902

IUPAC5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C16H16N4O/c1-2-18-11-13-5-3-4-6-14(13)20-16(21)15-8-7-12(9-17)10-19-15/h3-8,10,18H,2,11H2,1H3,(H,20,21)
InChIKeyIESFRQQZYUKIPX-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.32
Rot. Bonds5

About 5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide

5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide (PubChem CID 63723902) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
PubChem CID63723902
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C16H16N4O/c1-2-18-11-13-5-3-4-6-14(13)20-16(21)15-8-7-12(9-17)10-19-15/h3-8,10,18H,2,11H2,1H3,(H,20,21)
InChIKeyIESFRQQZYUKIPX-UHFFFAOYSA-N
XLogP2.32
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide
CID 81003561
5-cyano-N-[[2-(2-methoxyethylamino)phenyl]methyl]pyridine-2-carboxamide
CID 71968822
N-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107973168
5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide
CID 115116632
N-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 63654524
N-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103805568
5-cyano-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 63724379
N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43601475
5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 65043816
3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 43601335
N-[2-(ethylaminomethyl)phenyl]-3-methylpyridine-2-carboxamide
CID 62339323
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide (CID 63723902) is 5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide is CCNCc1ccccc1NC(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is IESFRQQZYUKIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-18-11-13-5-3-4-6-14(13)20-16(21)15-8-7-12(9-17)10-19-15/h3-8,10,18H,2,11H2,1H3,(H,20,21).
What are the key properties of 5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide?
5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 63723902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).