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

C17H13ClF3N3O2 — CID 109078576

IUPAC2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide
SMILESO=C(NC1CC1)c1ccnc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C17H13ClF3N3O2/c18-13-4-3-11(8-12(13)17(19,20)21)24-16(26)14-7-9(5-6-22-14)15(25)23-10-1-2-10/h3-8,10H,1-2H2,(H,23,25)(H,24,26)
InChIKeyQFQNLKQEJINUCX-UHFFFAOYSA-N
MW383.76 g/mol
LogP3.90
Rot. Bonds4

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

2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide (PubChem CID 109078576) has the molecular formula C17H13ClF3N3O2 and a molecular weight of 383.76 g/mol. Its IUPAC name is 2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide
PubChem CID109078576
Molecular FormulaC17H13ClF3N3O2
Molecular Weight383.76 g/mol
Exact Mass383.06
IUPAC Name2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide
SMILESO=C(NC1CC1)c1ccnc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C17H13ClF3N3O2/c18-13-4-3-11(8-12(13)17(19,20)21)24-16(26)14-7-9(5-6-22-14)15(25)23-10-1-2-10/h3-8,10H,1-2H2,(H,23,25)(H,24,26)
InChIKeyQFQNLKQEJINUCX-UHFFFAOYSA-N
XLogP3.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.76
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078522
2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080795
4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078718
2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide
CID 109089398
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079916
4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109080812
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295455
2-N-butan-2-yl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109080291
2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109081616
4-N-(3-chloro-4-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080961
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide
CID 39899500
4-N-cyclopentyl-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109080780

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide (CID 109078576) is 2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide is O=C(NC1CC1)c1ccnc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1.
What is the InChIKey of 2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide?
The InChIKey is QFQNLKQEJINUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O2/c18-13-4-3-11(8-12(13)17(19,20)21)24-16(26)14-7-9(5-6-22-14)15(25)23-10-1-2-10/h3-8,10H,1-2H2,(H,23,25)(H,24,26).
What are the key properties of 2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide?
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide has a molecular weight of 383.76 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109078576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).