4-N-(4-ethylphenyl)-2-N-propylpyridine-2,4-dicarboxamide

C18H21N3O2 — CID 109077915

IUPAC4-N-(4-ethylphenyl)-2-N-propylpyridine-2,4-dicarboxamide
SMILESCCCNC(=O)c1cc(C(=O)Nc2ccc(CC)cc2)ccn1
InChIInChI=1S/C18H21N3O2/c1-3-10-20-18(23)16-12-14(9-11-19-16)17(22)21-15-7-5-13(4-2)6-8-15/h5-9,11-12H,3-4,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyUBGDQPZKWMTRSR-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.04
Rot. Bonds6

About 4-N-(4-ethylphenyl)-2-N-propylpyridine-2,4-dicarboxamide

4-N-(4-ethylphenyl)-2-N-propylpyridine-2,4-dicarboxamide (PubChem CID 109077915) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-N-(4-ethylphenyl)-2-N-propylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-ethylphenyl)-2-N-propylpyridine-2,4-dicarboxamide
PubChem CID109077915
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-N-(4-ethylphenyl)-2-N-propylpyridine-2,4-dicarboxamide
SMILESCCCNC(=O)c1cc(C(=O)Nc2ccc(CC)cc2)ccn1
InChIInChI=1S/C18H21N3O2/c1-3-10-20-18(23)16-12-14(9-11-19-16)17(22)21-15-7-5-13(4-2)6-8-15/h5-9,11-12H,3-4,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyUBGDQPZKWMTRSR-UHFFFAOYSA-N
XLogP3.04
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077938
4-N-(4-acetylphenyl)-2-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092310
2-N-(4-ethylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087726
2-N-(3,4-difluorophenyl)-4-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092288
3-N-(4-ethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050379
methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109077959
2-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091133
2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide
CID 109079477
2-N-(4-ethylphenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086903
4-N-(2,4-difluorophenyl)-2-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092315
2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 113255068
4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109079293

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylphenyl)-2-N-propylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(4-ethylphenyl)-2-N-propylpyridine-2,4-dicarboxamide (CID 109077915) is 4-N-(4-ethylphenyl)-2-N-propylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-ethylphenyl)-2-N-propylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(4-ethylphenyl)-2-N-propylpyridine-2,4-dicarboxamide is CCCNC(=O)c1cc(C(=O)Nc2ccc(CC)cc2)ccn1.
What is the InChIKey of 4-N-(4-ethylphenyl)-2-N-propylpyridine-2,4-dicarboxamide?
The InChIKey is UBGDQPZKWMTRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-10-20-18(23)16-12-14(9-11-19-16)17(22)21-15-7-5-13(4-2)6-8-15/h5-9,11-12H,3-4,10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 4-N-(4-ethylphenyl)-2-N-propylpyridine-2,4-dicarboxamide?
4-N-(4-ethylphenyl)-2-N-propylpyridine-2,4-dicarboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylphenyl)-2-N-propylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109077915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).