2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide

C21H27N3O2 — CID 109097438

IUPAC2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)NCc2cccc(C)c2)n1
InChIInChI=1S/C21H27N3O2/c1-4-12-24(13-5-2)21(26)19-11-7-10-18(23-19)20(25)22-15-17-9-6-8-16(3)14-17/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,22,25)
InChIKeyVCNOIECZQZQYTE-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.58
Rot. Bonds8

About 2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide

2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide (PubChem CID 109097438) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
PubChem CID109097438
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)NCc2cccc(C)c2)n1
InChIInChI=1S/C21H27N3O2/c1-4-12-24(13-5-2)21(26)19-11-7-10-18(23-19)20(25)22-15-17-9-6-8-16(3)14-17/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,22,25)
InChIKeyVCNOIECZQZQYTE-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

6-N,6-N-diethyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097429
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 47297279
2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099433
6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097432
2-[butyl(methyl)amino]-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327703
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
6-N-(4-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097465
2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109098644
6-N-(2-ethoxyphenyl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097471
6-N-(2,4-difluorophenyl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097480
6-N-(1,1-dioxothiolan-3-yl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097427

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide (CID 109097438) is 2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide is CCCN(CCC)C(=O)c1cccc(C(=O)NCc2cccc(C)c2)n1.
What is the InChIKey of 2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide?
The InChIKey is VCNOIECZQZQYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-12-24(13-5-2)21(26)19-11-7-10-18(23-19)20(25)22-15-17-9-6-8-16(3)14-17/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,22,25).
What are the key properties of 2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide?
2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-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 2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109097438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).