N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide

C22H14ClF3N4O — CID 11640796

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1Nc1ccc2ccncc2c1
InChIInChI=1S/C22H14ClF3N4O/c23-19-6-5-16(11-18(19)22(24,25)26)30-21(31)17-2-1-8-28-20(17)29-15-4-3-13-7-9-27-12-14(13)10-15/h1-12H,(H,28,29)(H,30,31)
InChIKeyOVEQFNZUXGSCFP-UHFFFAOYSA-N
MW442.83 g/mol
LogP6.30
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide (PubChem CID 11640796) has the molecular formula C22H14ClF3N4O and a molecular weight of 442.83 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
PubChem CID11640796
Molecular FormulaC22H14ClF3N4O
Molecular Weight442.83 g/mol
Exact Mass442.08
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1Nc1ccc2ccncc2c1
InChIInChI=1S/C22H14ClF3N4O/c23-19-6-5-16(11-18(19)22(24,25)26)30-21(31)17-2-1-8-28-20(17)29-15-4-3-13-7-9-27-12-14(13)10-15/h1-12H,(H,28,29)(H,30,31)
InChIKeyOVEQFNZUXGSCFP-UHFFFAOYSA-N
XLogP6.30
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.83
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751854
N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 142343699
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632625
N-(3,4-dichlorophenyl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 23632726
N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide
CID 11682965
4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 11407730
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632653
2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23632330
N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 23632835
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide
CID 110452028
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
CID 729859

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide (CID 11640796) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1Nc1ccc2ccncc2c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide?
The InChIKey is OVEQFNZUXGSCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF3N4O/c23-19-6-5-16(11-18(19)22(24,25)26)30-21(31)17-2-1-8-28-20(17)29-15-4-3-13-7-9-27-12-14(13)10-15/h1-12H,(H,28,29)(H,30,31).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide has a molecular weight of 442.83 g/mol, XLogP of 6.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 11640796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).