4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide

C18H20ClN3O2 — CID 109080050

IUPAC4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccnc(C(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C18H20ClN3O2/c1-4-12(3)21-17(23)13-7-8-20-16(10-13)18(24)22-15-6-5-14(19)9-11(15)2/h5-10,12H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyBABIEJPOVBRGDE-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.82
Rot. Bonds5

About 4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide

4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109080050) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109080050
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccnc(C(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C18H20ClN3O2/c1-4-12(3)21-17(23)13-7-8-20-16(10-13)18(24)22-15-6-5-14(19)9-11(15)2/h5-10,12H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyBABIEJPOVBRGDE-UHFFFAOYSA-N
XLogP3.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080207
4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109080107
2-N-(2,4-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078105
2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078911
4-N-butan-2-yl-2-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080113
2-N-(4-chloro-2-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078521
4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085349
4-N-(4-chloro-2-methylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087656
2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109080310
4-N-butan-2-yl-2-N-(2,5-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080066
4-N-(4-chloro-2-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080960
4-N-(4-chloro-2-methylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081597

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide (CID 109080050) is 4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide is CCC(C)NC(=O)c1ccnc(C(=O)Nc2ccc(Cl)cc2C)c1.
What is the InChIKey of 4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is BABIEJPOVBRGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-4-12(3)21-17(23)13-7-8-20-16(10-13)18(24)22-15-6-5-14(19)9-11(15)2/h5-10,12H,4H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide?
4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109080050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).