2-N-butyl-4-N-(4-ethoxyphenyl)-2-N-methylpyridine-2,4-dicarboxamide

C20H25N3O3 — CID 109090083

IUPAC2-N-butyl-4-N-(4-ethoxyphenyl)-2-N-methylpyridine-2,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1cc(C(=O)Nc2ccc(OCC)cc2)ccn1
InChIInChI=1S/C20H25N3O3/c1-4-6-13-23(3)20(25)18-14-15(11-12-21-18)19(24)22-16-7-9-17(10-8-16)26-5-2/h7-12,14H,4-6,13H2,1-3H3,(H,22,24)
InChIKeyXJEQPDYEHNOLRZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.60
Rot. Bonds8

About 2-N-butyl-4-N-(4-ethoxyphenyl)-2-N-methylpyridine-2,4-dicarboxamide

2-N-butyl-4-N-(4-ethoxyphenyl)-2-N-methylpyridine-2,4-dicarboxamide (PubChem CID 109090083) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-N-butyl-4-N-(4-ethoxyphenyl)-2-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-4-N-(4-ethoxyphenyl)-2-N-methylpyridine-2,4-dicarboxamide
PubChem CID109090083
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-N-butyl-4-N-(4-ethoxyphenyl)-2-N-methylpyridine-2,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1cc(C(=O)Nc2ccc(OCC)cc2)ccn1
InChIInChI=1S/C20H25N3O3/c1-4-6-13-23(3)20(25)18-14-15(11-12-21-18)19(24)22-16-7-9-17(10-8-16)26-5-2/h7-12,14H,4-6,13H2,1-3H3,(H,22,24)
InChIKeyXJEQPDYEHNOLRZ-UHFFFAOYSA-N
XLogP3.60
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109090114
4-N-(4-ethoxyphenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088955
2-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109084095
2-(dipropylamino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109175918
4-N-(4-methoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090576
4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109089968
2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078141
2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109090075
4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090596
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 114325480
2-N-(2-chlorophenyl)-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092798
4-N-butyl-2-N,4-N-dimethyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088262

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-(4-ethoxyphenyl)-2-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-butyl-4-N-(4-ethoxyphenyl)-2-N-methylpyridine-2,4-dicarboxamide (CID 109090083) is 2-N-butyl-4-N-(4-ethoxyphenyl)-2-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-butyl-4-N-(4-ethoxyphenyl)-2-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-butyl-4-N-(4-ethoxyphenyl)-2-N-methylpyridine-2,4-dicarboxamide is CCCCN(C)C(=O)c1cc(C(=O)Nc2ccc(OCC)cc2)ccn1.
What is the InChIKey of 2-N-butyl-4-N-(4-ethoxyphenyl)-2-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is XJEQPDYEHNOLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-6-13-23(3)20(25)18-14-15(11-12-21-18)19(24)22-16-7-9-17(10-8-16)26-5-2/h7-12,14H,4-6,13H2,1-3H3,(H,22,24).
What are the key properties of 2-N-butyl-4-N-(4-ethoxyphenyl)-2-N-methylpyridine-2,4-dicarboxamide?
2-N-butyl-4-N-(4-ethoxyphenyl)-2-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-(4-ethoxyphenyl)-2-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109090083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).