2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide

C18H19Cl2N3O2 — CID 109090114

IUPAC2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccn1
InChIInChI=1S/C18H19Cl2N3O2/c1-3-4-9-23(2)18(25)16-10-12(7-8-21-16)17(24)22-13-5-6-14(19)15(20)11-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,24)
InChIKeyXDUADERPDMVGFF-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.51
Rot. Bonds6

About 2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide

2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide (PubChem CID 109090114) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide
PubChem CID109090114
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccn1
InChIInChI=1S/C18H19Cl2N3O2/c1-3-4-9-23(2)18(25)16-10-12(7-8-21-16)17(24)22-13-5-6-14(19)15(20)11-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,24)
InChIKeyXDUADERPDMVGFF-UHFFFAOYSA-N
XLogP4.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109089978
2-N-butyl-4-N-(4-ethoxyphenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109090083
4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109079353
2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109090075
4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109089968
2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090011
4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048834
4-N-butyl-2-N,4-N-dimethyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088262
4-N-(3,4-dichlorophenyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078383
N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201563
4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109080107
4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090596

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide (CID 109090114) is 2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide is CCCCN(C)C(=O)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccn1.
What is the InChIKey of 2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is XDUADERPDMVGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-3-4-9-23(2)18(25)16-10-12(7-8-21-16)17(24)22-13-5-6-14(19)15(20)11-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,24).
What are the key properties of 2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide?
2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 380.28 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109090114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).