4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide

C18H17ClF3N3O2 — CID 109079916

IUPAC4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
SMILESCC(C)CNC(=O)c1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C18H17ClF3N3O2/c1-10(2)9-24-17(27)15-7-11(5-6-23-15)16(26)25-12-3-4-14(19)13(8-12)18(20,21)22/h3-8,10H,9H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyFCDRYPZWILJACU-UHFFFAOYSA-N
MW399.80 g/mol
LogP4.39
Rot. Bonds5

About 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide

4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide (PubChem CID 109079916) has the molecular formula C18H17ClF3N3O2 and a molecular weight of 399.80 g/mol. Its IUPAC name is 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
PubChem CID109079916
Molecular FormulaC18H17ClF3N3O2
Molecular Weight399.80 g/mol
Exact Mass399.10
IUPAC Name4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
SMILESCC(C)CNC(=O)c1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C18H17ClF3N3O2/c1-10(2)9-24-17(27)15-7-11(5-6-23-15)16(26)25-12-3-4-14(19)13(8-12)18(20,21)22/h3-8,10H,9H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyFCDRYPZWILJACU-UHFFFAOYSA-N
XLogP4.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.80
LogP ≤ 54.39
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
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078576
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295455
4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079869
2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079698
4-N-(3,4-dichlorophenyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078383
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297252
2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079716
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168617
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 109166248
4-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202996
4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109080107

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide (CID 109079916) is 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide is CC(C)CNC(=O)c1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccn1.
What is the InChIKey of 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The InChIKey is FCDRYPZWILJACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O2/c1-10(2)9-24-17(27)15-7-11(5-6-23-15)16(26)25-12-3-4-14(19)13(8-12)18(20,21)22/h3-8,10H,9H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide has a molecular weight of 399.80 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).