3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide

C18H21N3O2 — CID 109101366

IUPAC3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)NC(=O)c1cncc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C18H21N3O2/c1-13(2)21-18(23)16-10-15(11-19-12-16)17(22)20-9-8-14-6-4-3-5-7-14/h3-7,10-13H,8-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyIHNOCKSNOYXWLB-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.19
Rot. Bonds6

About 3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide

3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 109101366) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID109101366
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)NC(=O)c1cncc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C18H21N3O2/c1-13(2)21-18(23)16-10-15(11-19-12-16)17(22)20-9-8-14-6-4-3-5-7-14/h3-7,10-13H,8-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyIHNOCKSNOYXWLB-UHFFFAOYSA-N
XLogP2.19
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(1-phenylethyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105347
5-N-[2-(dimethylamino)ethyl]-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109104046
5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235813
3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101755
5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105843
5-N-(4-acetylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106239
5-N-(2-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106222
5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106204
3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101412
5-(2-fluorophenyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 46033116
5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104300
5-N-(3-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106241

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide (CID 109101366) is 3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide is CC(C)NC(=O)c1cncc(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is IHNOCKSNOYXWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(2)21-18(23)16-10-15(11-19-12-16)17(22)20-9-8-14-6-4-3-5-7-14/h3-7,10-13H,8-9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).