N-(3-cyanophenyl)-5-(diethylamino)pyridine-2-carboxamide

C17H18N4O — CID 109194832

IUPACN-(3-cyanophenyl)-5-(diethylamino)pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(C(=O)Nc2cccc(C#N)c2)nc1
InChIInChI=1S/C17H18N4O/c1-3-21(4-2)15-8-9-16(19-12-15)17(22)20-14-7-5-6-13(10-14)11-18/h5-10,12H,3-4H2,1-2H3,(H,20,22)
InChIKeyDVIXHHQNZXAVNL-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.05
Rot. Bonds5

About N-(3-cyanophenyl)-5-(diethylamino)pyridine-2-carboxamide

N-(3-cyanophenyl)-5-(diethylamino)pyridine-2-carboxamide (PubChem CID 109194832) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-(diethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-(diethylamino)pyridine-2-carboxamide
PubChem CID109194832
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-(3-cyanophenyl)-5-(diethylamino)pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(C(=O)Nc2cccc(C#N)c2)nc1
InChIInChI=1S/C17H18N4O/c1-3-21(4-2)15-8-9-16(19-12-15)17(22)20-14-7-5-6-13(10-14)11-18/h5-10,12H,3-4H2,1-2H3,(H,20,22)
InChIKeyDVIXHHQNZXAVNL-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

N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide
CID 109216610
N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194760
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109195491
4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109212660
5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 103803374
5-(3-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197351
N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide
CID 113264926
4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109217911
5-(diethylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109194751
4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109093258
5-cyano-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 63719298

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-(diethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-(diethylamino)pyridine-2-carboxamide (CID 109194832) is N-(3-cyanophenyl)-5-(diethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-(diethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-(diethylamino)pyridine-2-carboxamide is CCN(CC)c1ccc(C(=O)Nc2cccc(C#N)c2)nc1.
What is the InChIKey of N-(3-cyanophenyl)-5-(diethylamino)pyridine-2-carboxamide?
The InChIKey is DVIXHHQNZXAVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-3-21(4-2)15-8-9-16(19-12-15)17(22)20-14-7-5-6-13(10-14)11-18/h5-10,12H,3-4H2,1-2H3,(H,20,22).
What are the key properties of N-(3-cyanophenyl)-5-(diethylamino)pyridine-2-carboxamide?
N-(3-cyanophenyl)-5-(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)-5-(diethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109194832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).