N-[(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide

C22H14ClF3N4O2 — CID 90216640

IUPACN-[(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1cnc2ccc(Cl)cc2c1)c1ncccc1C(F)(F)F)c1ccc(=O)[nH]c1
InChIInChI=1S/C22H14ClF3N4O2/c23-15-4-5-17-13(9-15)8-14(11-28-17)19(20-16(22(24,25)26)2-1-7-27-20)30-21(32)12-3-6-18(31)29-10-12/h1-11,19H,(H,29,31)(H,30,32)
InChIKeyWPGAFVOIENGATI-UHFFFAOYSA-N
MW458.83 g/mol
LogP4.51
Rot. Bonds4

About N-[(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide

N-[(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 90216640) has the molecular formula C22H14ClF3N4O2 and a molecular weight of 458.83 g/mol. Its IUPAC name is N-[(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID90216640
Molecular FormulaC22H14ClF3N4O2
Molecular Weight458.83 g/mol
Exact Mass458.08
IUPAC NameN-[(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1cnc2ccc(Cl)cc2c1)c1ncccc1C(F)(F)F)c1ccc(=O)[nH]c1
InChIInChI=1S/C22H14ClF3N4O2/c23-15-4-5-17-13(9-15)8-14(11-28-17)19(20-16(22(24,25)26)2-1-7-27-20)30-21(32)12-3-6-18(31)29-10-12/h1-11,19H,(H,29,31)(H,30,32)
InChIKeyWPGAFVOIENGATI-UHFFFAOYSA-N
XLogP4.51
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.83
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 90216640) is N-[(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NC(c1cnc2ccc(Cl)cc2c1)c1ncccc1C(F)(F)F)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WPGAFVOIENGATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF3N4O2/c23-15-4-5-17-13(9-15)8-14(11-28-17)19(20-16(22(24,25)26)2-1-7-27-20)30-21(32)12-3-6-18(31)29-10-12/h1-11,19H,(H,29,31)(H,30,32).
What are the key properties of N-[(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 458.83 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 90216640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).