4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide

C17H17Cl2N3O2 — CID 109080107

IUPAC4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccnc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H17Cl2N3O2/c1-3-10(2)21-16(23)11-6-7-20-15(8-11)17(24)22-12-4-5-13(18)14(19)9-12/h4-10H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIEEUGBCXXLBTTA-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.17
Rot. Bonds5

About 4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide

4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109080107) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
PubChem CID109080107
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccnc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H17Cl2N3O2/c1-3-10(2)21-16(23)11-6-7-20-15(8-11)17(24)22-12-4-5-13(18)14(19)9-12/h4-10H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIEEUGBCXXLBTTA-UHFFFAOYSA-N
XLogP4.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-butan-2-yl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109080291
4-N-(3,4-dichlorophenyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078383
2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109080310
4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080050
4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide
CID 109080259
2-N-butan-2-yl-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080208
4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109079353
4-N-butan-2-yl-2-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080113
5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide
CID 109181756
4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078600
2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078141
4-N-butan-2-yl-2-N-(2,5-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080066

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide (CID 109080107) is 4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide is CCC(C)NC(=O)c1ccnc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is IEEUGBCXXLBTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-3-10(2)21-16(23)11-6-7-20-15(8-11)17(24)22-12-4-5-13(18)14(19)9-12/h4-10H,3H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide?
4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide has a molecular weight of 366.25 g/mol, XLogP of 4.17, 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-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109080107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).