1-[(4-chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C20H14ClF3N2O3 — CID 5122579

IUPAC1-[(4-chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H14ClF3N2O3/c21-15-4-1-13(2-5-15)11-26-12-14(3-10-18(26)27)19(28)25-16-6-8-17(9-7-16)29-20(22,23)24/h1-10,12H,11H2,(H,25,28)
InChIKeyGUUBAVWKXVLQSF-UHFFFAOYSA-N
MW422.79 g/mol
LogP4.70
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

1-[(4-chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 5122579) has the molecular formula C20H14ClF3N2O3 and a molecular weight of 422.79 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID5122579
Molecular FormulaC20H14ClF3N2O3
Molecular Weight422.79 g/mol
Exact Mass422.06
IUPAC Name1-[(4-chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H14ClF3N2O3/c21-15-4-1-13(2-5-15)11-26-12-14(3-10-18(26)27)19(28)25-16-6-8-17(9-7-16)29-20(22,23)24/h1-10,12H,11H2,(H,25,28)
InChIKeyGUUBAVWKXVLQSF-UHFFFAOYSA-N
XLogP4.70
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.79
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 26844094
N-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 3731074
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843818
1-[(4-chlorophenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 3778980
1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26843824
4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 35323043
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671146
2-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2678277
N-(3-chlorophenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26844128
butyl 4-[[1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate
CID 8671148
N-(3-chloro-4-fluorophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697484
1-[(3-chlorophenyl)methyl]-N-(3,4-difluorophenyl)-6-oxopyridine-3-carboxamide
CID 26844102

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 5122579) is 1-[(4-chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is GUUBAVWKXVLQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O3/c21-15-4-1-13(2-5-15)11-26-12-14(3-10-18(26)27)19(28)25-16-6-8-17(9-7-16)29-20(22,23)24/h1-10,12H,11H2,(H,25,28).
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 422.79 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 5122579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).