4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide

C18H19ClFN3O2 — CID 109089978

IUPAC4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccnc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H19ClFN3O2/c1-3-4-9-23(2)18(25)12-7-8-21-16(10-12)17(24)22-13-5-6-15(20)14(19)11-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,24)
InChIKeyJVRFCBITWRKRNV-UHFFFAOYSA-N
MW363.82 g/mol
LogP4.00
Rot. Bonds6

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

4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide (PubChem CID 109089978) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is 4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
PubChem CID109089978
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC Name4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccnc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H19ClFN3O2/c1-3-4-9-23(2)18(25)12-7-8-21-16(10-12)17(24)22-13-5-6-15(20)14(19)11-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,24)
InChIKeyJVRFCBITWRKRNV-UHFFFAOYSA-N
XLogP4.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048834
2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109090114
4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109089968
4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109090032
2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090011
4-N-(3-chloro-4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091357
4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079822
2-N-(2-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090010
4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109079353
4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091494
N-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide
CID 109196641
4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109079293

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide (CID 109089978) is 4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide is CCCCN(C)C(=O)c1ccnc(C(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is JVRFCBITWRKRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c1-3-4-9-23(2)18(25)12-7-8-21-16(10-12)17(24)22-13-5-6-15(20)14(19)11-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,24).
What are the key properties of 4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide?
4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 363.82 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).