2-N-(4-ethylphenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide

C18H21N3O2 — CID 109093713

IUPAC2-N-(4-ethylphenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
SMILESCCc1ccc(NC(=O)c2cccc(C(=O)NC(C)C)n2)cc1
InChIInChI=1S/C18H21N3O2/c1-4-13-8-10-14(11-9-13)20-18(23)16-7-5-6-15(21-16)17(22)19-12(2)3/h5-12H,4H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyVCERXPMIVTXIQF-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.03
Rot. Bonds5

About 2-N-(4-ethylphenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide

2-N-(4-ethylphenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide (PubChem CID 109093713) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-N-(4-ethylphenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-ethylphenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
PubChem CID109093713
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-N-(4-ethylphenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
SMILESCCc1ccc(NC(=O)c2cccc(C(=O)NC(C)C)n2)cc1
InChIInChI=1S/C18H21N3O2/c1-4-13-8-10-14(11-9-13)20-18(23)16-7-5-6-15(21-16)17(22)19-12(2)3/h5-12H,4H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyVCERXPMIVTXIQF-UHFFFAOYSA-N
XLogP3.03
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109093781
6-N-(4-ethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100178
2-N-(3,4-difluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093804
2-N-[2-(dimethylamino)ethyl]-6-N-(4-ethylphenyl)pyridine-2,6-dicarboxamide
CID 109096349
6-N-ethyl-2-N-(4-ethylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109100571
6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109097046
2-N-[(2-chlorophenyl)methyl]-6-N-(4-ethylphenyl)pyridine-2,6-dicarboxamide
CID 109097909
2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 137487537
4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38175728
6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
6-N-propan-2-yl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109093744
6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093750

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethylphenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-(4-ethylphenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide (CID 109093713) is 2-N-(4-ethylphenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-(4-ethylphenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-(4-ethylphenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide is CCc1ccc(NC(=O)c2cccc(C(=O)NC(C)C)n2)cc1.
What is the InChIKey of 2-N-(4-ethylphenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The InChIKey is VCERXPMIVTXIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-13-8-10-14(11-9-13)20-18(23)16-7-5-6-15(21-16)17(22)19-12(2)3/h5-12H,4H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 2-N-(4-ethylphenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
2-N-(4-ethylphenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethylphenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109093713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).