3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide

C21H27N3O2 — CID 109107140

IUPAC3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
SMILESCC(C)CCNC(=O)c1cncc(C(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H27N3O2/c1-14(2)9-10-23-20(25)17-11-18(13-22-12-17)21(26)24-19-7-5-16(6-8-19)15(3)4/h5-8,11-15H,9-10H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyHRECYZNQXDSMAF-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.23
Rot. Bonds7

About 3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide

3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109107140) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
PubChem CID109107140
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
SMILESCC(C)CCNC(=O)c1cncc(C(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H27N3O2/c1-14(2)9-10-23-20(25)17-11-18(13-22-12-17)21(26)24-19-7-5-16(6-8-19)15(3)4/h5-8,11-15H,9-10H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyHRECYZNQXDSMAF-UHFFFAOYSA-N
XLogP4.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109104104
3-N-(3-methylbutyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109107173
3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107769
3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105029
3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105544
5-N-(4-propan-2-ylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106035
5-N-(3-cyanophenyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109107206
3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107123
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109103452
N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 110466850
5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107855

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide (CID 109107140) is 3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide is CC(C)CCNC(=O)c1cncc(C(=O)Nc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is HRECYZNQXDSMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14(2)9-10-23-20(25)17-11-18(13-22-12-17)21(26)24-19-7-5-16(6-8-19)15(3)4/h5-8,11-15H,9-10H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 353.47 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109107140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).