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

C21H27N3O2 — CID 109085537

IUPAC4-N-[(2-methylphenyl)methyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C(=O)NCc2ccccc2C)ccn1
InChIInChI=1S/C21H27N3O2/c1-4-12-24(13-5-2)21(26)19-14-17(10-11-22-19)20(25)23-15-18-9-7-6-8-16(18)3/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25)
InChIKeyUBTHIOXKYYPJGX-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.58
Rot. Bonds8

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

4-N-[(2-methylphenyl)methyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide (PubChem CID 109085537) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-N-[(2-methylphenyl)methyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2-methylphenyl)methyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
PubChem CID109085537
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-N-[(2-methylphenyl)methyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C(=O)NCc2ccccc2C)ccn1
InChIInChI=1S/C21H27N3O2/c1-4-12-24(13-5-2)21(26)19-14-17(10-11-22-19)20(25)23-15-18-9-7-6-8-16(18)3/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25)
InChIKeyUBTHIOXKYYPJGX-UHFFFAOYSA-N
XLogP3.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.58
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
2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085391
4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085618
2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109085525
2-N-[(2-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085604
2-N,2-N,4-N,4-N-tetrapropylpyridine-2,4-dicarboxamide
CID 109090449
2-N-(2-chlorophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085561
4-N-benzyl-4-N-ethyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085601
N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081205
2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082650
2-N-(2-fluorophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085559

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methylphenyl)methyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[(2-methylphenyl)methyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide (CID 109085537) is 4-N-[(2-methylphenyl)methyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2-methylphenyl)methyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(2-methylphenyl)methyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide is CCCN(CCC)C(=O)c1cc(C(=O)NCc2ccccc2C)ccn1.
What is the InChIKey of 4-N-[(2-methylphenyl)methyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide?
The InChIKey is UBTHIOXKYYPJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-12-24(13-5-2)21(26)19-14-17(10-11-22-19)20(25)23-15-18-9-7-6-8-16(18)3/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25).
What are the key properties of 4-N-[(2-methylphenyl)methyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide?
4-N-[(2-methylphenyl)methyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methylphenyl)methyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).