2-N-(3,5-dichlorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide

C16H15Cl2N3O2 — CID 109078190

IUPAC2-N-(3,5-dichlorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
SMILESCC(C)NC(=O)c1ccnc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H15Cl2N3O2/c1-9(2)20-15(22)10-3-4-19-14(5-10)16(23)21-13-7-11(17)6-12(18)8-13/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyBRERDBQXGCVDDD-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.78
Rot. Bonds4

About 2-N-(3,5-dichlorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide

2-N-(3,5-dichlorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide (PubChem CID 109078190) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 2-N-(3,5-dichlorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3,5-dichlorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
PubChem CID109078190
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name2-N-(3,5-dichlorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
SMILESCC(C)NC(=O)c1ccnc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H15Cl2N3O2/c1-9(2)20-15(22)10-3-4-19-14(5-10)16(23)21-13-7-11(17)6-12(18)8-13/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyBRERDBQXGCVDDD-UHFFFAOYSA-N
XLogP3.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078108
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078101
4-N-(3,4-dichlorophenyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078383
2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078141
2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081008
4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092487
2-N-(2,4-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078105
2-N-(2,4-difluorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078181
4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109080107
2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078164
4-N-(4-chlorophenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092859

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dichlorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3,5-dichlorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide (CID 109078190) is 2-N-(3,5-dichlorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3,5-dichlorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3,5-dichlorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide is CC(C)NC(=O)c1ccnc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 2-N-(3,5-dichlorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
The InChIKey is BRERDBQXGCVDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c1-9(2)20-15(22)10-3-4-19-14(5-10)16(23)21-13-7-11(17)6-12(18)8-13/h3-9H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-N-(3,5-dichlorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
2-N-(3,5-dichlorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide has a molecular weight of 352.22 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dichlorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109078190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).