4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide

C21H17ClFN3O2 — CID 109086609

IUPAC4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(=O)NCc3ccc(F)cc3)c2)cc1Cl
InChIInChI=1S/C21H17ClFN3O2/c1-13-2-7-17(11-18(13)22)26-20(27)15-8-9-24-19(10-15)21(28)25-12-14-3-5-16(23)6-4-14/h2-11H,12H2,1H3,(H,25,28)(H,26,27)
InChIKeyFPBVVKUKQYEBLL-UHFFFAOYSA-N
MW397.84 g/mol
LogP4.36
Rot. Bonds5

About 4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide

4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 109086609) has the molecular formula C21H17ClFN3O2 and a molecular weight of 397.84 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID109086609
Molecular FormulaC21H17ClFN3O2
Molecular Weight397.84 g/mol
Exact Mass397.10
IUPAC Name4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(=O)NCc3ccc(F)cc3)c2)cc1Cl
InChIInChI=1S/C21H17ClFN3O2/c1-13-2-7-17(11-18(13)22)26-20(27)15-8-9-24-19(10-15)21(28)25-12-14-3-5-16(23)6-4-14/h2-11H,12H2,1H3,(H,25,28)(H,26,27)
InChIKeyFPBVVKUKQYEBLL-UHFFFAOYSA-N
XLogP4.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086459
2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091288
2-N-(3-chlorophenyl)-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086529
2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091966
6-(3-chloro-4-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348444
2-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088541
4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092947
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086566
2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109085469
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079398
4-N-(4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091349

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide (CID 109086609) is 4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide is Cc1ccc(NC(=O)c2ccnc(C(=O)NCc3ccc(F)cc3)c2)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is FPBVVKUKQYEBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O2/c1-13-2-7-17(11-18(13)22)26-20(27)15-8-9-24-19(10-15)21(28)25-12-14-3-5-16(23)6-4-14/h2-11H,12H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide has a molecular weight of 397.84 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).