4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide

C20H25N3O2 — CID 109085618

IUPAC4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccnc(C(=O)NCc2ccccc2C)c1
InChIInChI=1S/C20H25N3O2/c1-4-5-12-23(3)20(25)16-10-11-21-18(13-16)19(24)22-14-17-9-7-6-8-15(17)2/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,24)
InChIKeyGTLMCEVRXJAHBP-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.19
Rot. Bonds7

About 4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide

4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 109085618) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID109085618
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccnc(C(=O)NCc2ccccc2C)c1
InChIInChI=1S/C20H25N3O2/c1-4-5-12-23(3)20(25)16-10-11-21-18(13-16)19(24)22-14-17-9-7-6-8-15(17)2/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,24)
InChIKeyGTLMCEVRXJAHBP-UHFFFAOYSA-N
XLogP3.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079203
4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109085533
4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079822
4-N-[(2-methylphenyl)methyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109085537
2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109085525
2-[butyl(methyl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304081
4-N-benzyl-4-N-ethyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085601
2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085391
2-N-(2-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090010
2-N-[(2-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085604
4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109090032
4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109207893

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide (CID 109085618) is 4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide is CCCCN(C)C(=O)c1ccnc(C(=O)NCc2ccccc2C)c1.
What is the InChIKey of 4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is GTLMCEVRXJAHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-5-12-23(3)20(25)16-10-11-21-18(13-16)19(24)22-14-17-9-7-6-8-15(17)2/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,24).
What are the key properties of 4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).