5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide

C19H22ClN3O2 — CID 109102216

IUPAC5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
SMILESCc1cc(C)c(NC(=O)c2cncc(C(=O)NCC(C)C)c2)c(Cl)c1
InChIInChI=1S/C19H22ClN3O2/c1-11(2)8-22-18(24)14-7-15(10-21-9-14)19(25)23-17-13(4)5-12(3)6-16(17)20/h5-7,9-11H,8H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyRMYDWKUJWKSGBF-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.99
Rot. Bonds5

About 5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide

5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide (PubChem CID 109102216) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
PubChem CID109102216
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
SMILESCc1cc(C)c(NC(=O)c2cncc(C(=O)NCC(C)C)c2)c(Cl)c1
InChIInChI=1S/C19H22ClN3O2/c1-11(2)8-22-18(24)14-7-15(10-21-9-14)19(25)23-17-13(4)5-12(3)6-16(17)20/h5-7,9-11H,8H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyRMYDWKUJWKSGBF-UHFFFAOYSA-N
XLogP3.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224849
3-N-propyl-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide
CID 109101238
5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide
CID 109107702
5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102183
N-(2-chloro-4,6-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240170
N-(2-chloro-4,6-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232696
5-N-(2,3-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102194
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109263556
5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227747
N-(2-chloro-4,6-dimethylphenyl)-5-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109244980
5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102217
3-N-(2-chloro-4,6-dimethylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055218

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide (CID 109102216) is 5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide is Cc1cc(C)c(NC(=O)c2cncc(C(=O)NCC(C)C)c2)c(Cl)c1.
What is the InChIKey of 5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide?
The InChIKey is RMYDWKUJWKSGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-11(2)8-22-18(24)14-7-15(10-21-9-14)19(25)23-17-13(4)5-12(3)6-16(17)20/h5-7,9-11H,8H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide?
5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109102216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).