3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide

C19H23N3O2 — CID 109107123

IUPAC3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
SMILESCc1ccccc1NC(=O)c1cncc(C(=O)NCCC(C)C)c1
InChIInChI=1S/C19H23N3O2/c1-13(2)8-9-21-18(23)15-10-16(12-20-11-15)19(24)22-17-7-5-4-6-14(17)3/h4-7,10-13H,8-9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyZXGLWBPLBRBDDP-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.42
Rot. Bonds6

About 3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide

3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109107123) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
PubChem CID109107123
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
SMILESCc1ccccc1NC(=O)c1cncc(C(=O)NCCC(C)C)c1
InChIInChI=1S/C19H23N3O2/c1-13(2)8-9-21-18(23)15-10-16(12-20-11-15)19(24)22-17-7-5-4-6-14(17)3/h4-7,10-13H,8-9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyZXGLWBPLBRBDDP-UHFFFAOYSA-N
XLogP3.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102183
3-N-[2-(2-fluorophenyl)ethyl]-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106318
5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101805
5-N-(2,3-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102194
3-N-(3,4-dimethylphenyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107846
3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107140
5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107855
5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109103452
3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105910
5-N-(3-cyanophenyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109107206
3-N-(3-chloro-4-methylphenyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107869
N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241657

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide (CID 109107123) is 3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide is Cc1ccccc1NC(=O)c1cncc(C(=O)NCCC(C)C)c1.
What is the InChIKey of 3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is ZXGLWBPLBRBDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(2)8-9-21-18(23)15-10-16(12-20-11-15)19(24)22-17-7-5-4-6-14(17)3/h4-7,10-13H,8-9H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide?
3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.42, 6 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-(2-methylphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109107123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).