4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carboxamide

C16H19N3O — CID 957649

IUPAC4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(NCCc2ccccc2)n1
InChIInChI=1S/C16H19N3O/c1-11-10-12(2)19-16(14(11)15(17)20)18-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyHOAUSGYMJMKDTG-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.45
Rot. Bonds5

About 4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carboxamide

4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carboxamide (PubChem CID 957649) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carboxamide
PubChem CID957649
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(NCCc2ccccc2)n1
InChIInChI=1S/C16H19N3O/c1-11-10-12(2)19-16(14(11)15(17)20)18-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyHOAUSGYMJMKDTG-UHFFFAOYSA-N
XLogP2.45
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carboxamide (CID 957649) is 4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carboxamide is Cc1cc(C)c(C(N)=O)c(NCCc2ccccc2)n1.
What is the InChIKey of 4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is HOAUSGYMJMKDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-10-12(2)19-16(14(11)15(17)20)18-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carboxamide?
4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 957649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).