4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide

C22H29N3O2 — CID 109089968

IUPAC4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccnc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H29N3O2/c1-6-7-14-25(5)21(27)16-12-13-23-19(15-16)20(26)24-18-10-8-17(9-11-18)22(2,3)4/h8-13,15H,6-7,14H2,1-5H3,(H,24,26)
InChIKeyNYVXUYXBCIMHPK-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.50
Rot. Bonds6

About 4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide

4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide (PubChem CID 109089968) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
PubChem CID109089968
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccnc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H29N3O2/c1-6-7-14-25(5)21(27)16-12-13-23-19(15-16)20(26)24-18-10-8-17(9-11-18)22(2,3)4/h8-13,15H,6-7,14H2,1-5H3,(H,24,26)
InChIKeyNYVXUYXBCIMHPK-UHFFFAOYSA-N
XLogP4.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109217837
4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109089978
2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide
CID 109079477
2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090011
6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099555
4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079822
4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109090032
2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109090114
2-N-(2-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090010
2-N-butyl-4-N-(4-ethoxyphenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109090083
2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090511
4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085618

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide (CID 109089968) is 4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide is CCCCN(C)C(=O)c1ccnc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is NYVXUYXBCIMHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-6-7-14-25(5)21(27)16-12-13-23-19(15-16)20(26)24-18-10-8-17(9-11-18)22(2,3)4/h8-13,15H,6-7,14H2,1-5H3,(H,24,26).
What are the key properties of 4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide?
4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).