4-N-(2-ethoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide

C21H27N3O3 — CID 109090577

IUPAC4-N-(2-ethoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C(=O)Nc2ccccc2OCC)ccn1
InChIInChI=1S/C21H27N3O3/c1-4-13-24(14-5-2)21(26)18-15-16(11-12-22-18)20(25)23-17-9-7-8-10-19(17)27-6-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,25)
InChIKeyXSGDNRXSOXVCQY-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.99
Rot. Bonds9

About 4-N-(2-ethoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide

4-N-(2-ethoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide (PubChem CID 109090577) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-N-(2-ethoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-ethoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
PubChem CID109090577
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name4-N-(2-ethoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C(=O)Nc2ccccc2OCC)ccn1
InChIInChI=1S/C21H27N3O3/c1-4-13-24(14-5-2)21(26)18-15-16(11-12-22-18)20(25)23-17-9-7-8-10-19(17)27-6-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,25)
InChIKeyXSGDNRXSOXVCQY-UHFFFAOYSA-N
XLogP3.99
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109090611
2-N-(2-ethoxyphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090848
4-N-(2-ethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092650
2-N,2-N-diethyl-4-N-(2-phenoxyphenyl)pyridine-2,4-dicarboxamide
CID 109088996
4-N-(2-ethoxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087665
4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085231
4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086463
2-N-(2-ethoxyphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109092343
2-N-(2-chlorophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090478
4-N-(4-methoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090576
2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 112522687
2-N-(2-ethoxyphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085904

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(2-ethoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide (CID 109090577) is 4-N-(2-ethoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-ethoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2-ethoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide is CCCN(CCC)C(=O)c1cc(C(=O)Nc2ccccc2OCC)ccn1.
What is the InChIKey of 4-N-(2-ethoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide?
The InChIKey is XSGDNRXSOXVCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-13-24(14-5-2)21(26)18-15-16(11-12-22-18)20(25)23-17-9-7-8-10-19(17)27-6-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,25).
What are the key properties of 4-N-(2-ethoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide?
4-N-(2-ethoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109090577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).