N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide

C17H18N4O — CID 109216610

IUPACN-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide
SMILESCCN(CC)c1ccnc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C17H18N4O/c1-3-21(4-2)15-8-9-19-16(11-15)17(22)20-14-7-5-6-13(10-14)12-18/h5-11H,3-4H2,1-2H3,(H,20,22)
InChIKeyIAIROPKNJFZPIZ-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.05
Rot. Bonds5

About N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide

N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide (PubChem CID 109216610) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide
PubChem CID109216610
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide
SMILESCCN(CC)c1ccnc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C17H18N4O/c1-3-21(4-2)15-8-9-19-16(11-15)17(22)20-14-7-5-6-13(10-14)12-18/h5-11H,3-4H2,1-2H3,(H,20,22)
InChIKeyIAIROPKNJFZPIZ-UHFFFAOYSA-N
XLogP3.05
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109212660
N-(3-cyanophenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194832
4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109217911
2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077804
4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109093258
4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109222360
4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227
4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109222335
4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222713
N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208697
4-(3-cyanoanilino)-N-phenylpyridine-2-carboxamide
CID 109218825
N-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109220395

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide (CID 109216610) is N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide is CCN(CC)c1ccnc(C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide?
The InChIKey is IAIROPKNJFZPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-3-21(4-2)15-8-9-19-16(11-15)17(22)20-14-7-5-6-13(10-14)12-18/h5-11H,3-4H2,1-2H3,(H,20,22).
What are the key properties of N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide?
N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109216610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).