2-N-ethyl-2-N-(3-methylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide

C24H25N3O2 — CID 109087759

IUPAC2-N-ethyl-2-N-(3-methylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCCN(C(=O)c1cc(C(=O)NCCc2ccccc2)ccn1)c1cccc(C)c1
InChIInChI=1S/C24H25N3O2/c1-3-27(21-11-7-8-18(2)16-21)24(29)22-17-20(13-15-25-22)23(28)26-14-12-19-9-5-4-6-10-19/h4-11,13,15-17H,3,12,14H2,1-2H3,(H,26,28)
InChIKeyLGGWDVCZFUNICC-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.03
Rot. Bonds7

About 2-N-ethyl-2-N-(3-methylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide

2-N-ethyl-2-N-(3-methylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide (PubChem CID 109087759) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(3-methylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-ethyl-2-N-(3-methylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
PubChem CID109087759
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-N-ethyl-2-N-(3-methylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCCN(C(=O)c1cc(C(=O)NCCc2ccccc2)ccn1)c1cccc(C)c1
InChIInChI=1S/C24H25N3O2/c1-3-27(21-11-7-8-18(2)16-21)24(29)22-17-20(13-15-25-22)23(28)26-14-12-19-9-5-4-6-10-19/h4-11,13,15-17H,3,12,14H2,1-2H3,(H,26,28)
InChIKeyLGGWDVCZFUNICC-UHFFFAOYSA-N
XLogP4.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(3-methylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-ethyl-2-N-(3-methylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide (CID 109087759) is 2-N-ethyl-2-N-(3-methylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-ethyl-2-N-(3-methylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-ethyl-2-N-(3-methylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide is CCN(C(=O)c1cc(C(=O)NCCc2ccccc2)ccn1)c1cccc(C)c1.
What is the InChIKey of 2-N-ethyl-2-N-(3-methylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
The InChIKey is LGGWDVCZFUNICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-3-27(21-11-7-8-18(2)16-21)24(29)22-17-20(13-15-25-22)23(28)26-14-12-19-9-5-4-6-10-19/h4-11,13,15-17H,3,12,14H2,1-2H3,(H,26,28).
What are the key properties of 2-N-ethyl-2-N-(3-methylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
2-N-ethyl-2-N-(3-methylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(3-methylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109087759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).