N-(2-cyanoethyl)-4-(dimethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide

C18H20N4O — CID 99827801

IUPACN-(2-cyanoethyl)-4-(dimethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(N(CCC#N)C(=O)c2cc(N(C)C)ccn2)cc1
InChIInChI=1S/C18H20N4O/c1-14-5-7-15(8-6-14)22(12-4-10-19)18(23)17-13-16(21(2)3)9-11-20-17/h5-9,11,13H,4,12H2,1-3H3
InChIKeyZTWCHFSDFFEODV-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.02
Rot. Bonds5

About N-(2-cyanoethyl)-4-(dimethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide

N-(2-cyanoethyl)-4-(dimethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide (PubChem CID 99827801) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-(dimethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4-(dimethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
PubChem CID99827801
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-(2-cyanoethyl)-4-(dimethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(N(CCC#N)C(=O)c2cc(N(C)C)ccn2)cc1
InChIInChI=1S/C18H20N4O/c1-14-5-7-15(8-6-14)22(12-4-10-19)18(23)17-13-16(21(2)3)9-11-20-17/h5-9,11,13H,4,12H2,1-3H3
InChIKeyZTWCHFSDFFEODV-UHFFFAOYSA-N
XLogP3.02
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-(dimethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-4-(dimethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide (CID 99827801) is N-(2-cyanoethyl)-4-(dimethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-4-(dimethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-4-(dimethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide is Cc1ccc(N(CCC#N)C(=O)c2cc(N(C)C)ccn2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-4-(dimethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is ZTWCHFSDFFEODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-14-5-7-15(8-6-14)22(12-4-10-19)18(23)17-13-16(21(2)3)9-11-20-17/h5-9,11,13H,4,12H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-4-(dimethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide?
N-(2-cyanoethyl)-4-(dimethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4-(dimethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 99827801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).