N-[(4-aminophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C20H16F3N3O2 — CID 155464438

IUPACN-[(4-aminophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2)cc1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)16-11-10-15(18(27)25-16)19(28)26-17(12-4-2-1-3-5-12)13-6-8-14(24)9-7-13/h1-11,17H,24H2,(H,25,27)(H,26,28)
InChIKeyRLQDMCPRGLWICA-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.50
Rot. Bonds4

About N-[(4-aminophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[(4-aminophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464438) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is N-[(4-aminophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464438
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC NameN-[(4-aminophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2)cc1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)16-11-10-15(18(27)25-16)19(28)26-17(12-4-2-1-3-5-12)13-6-8-14(24)9-7-13/h1-11,17H,24H2,(H,25,27)(H,26,28)
InChIKeyRLQDMCPRGLWICA-UHFFFAOYSA-N
XLogP3.50
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-(Benzylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279210
7-(Cyclohexylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279256
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 46911790
1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide
CID 118735884
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-5-phenylpyridine-3-carboxamide
CID 162664878
N-(6-Methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-N-(2-m-tolyl-ethyl)-acetamide
CID 1453546
1-benzyl-N-cyclohexyl-2-oxoquinoline-3-carboxamide
CID 60145369
N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 60145370
N-(6-Methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-N-phenethyl-acetamide
CID 858519
2-{[methoxy(methyl)amino]methylene}-N~1~,N~3~-bis[4-(trifluoromethyl)phenyl]malonamide
CID 1472090
1-benzyl-2-oxo-N-phenyl-1,2-dihydropyridine-3-carboxamide
CID 1478492
1-(3,4-difluorobenzyl)-6-oxo-N-phenyl-1,6-dihydro-3-pyridinecarboxamide
CID 2764861

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4-aminophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464438) is N-[(4-aminophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Nc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2)cc1.
What is the InChIKey of N-[(4-aminophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is RLQDMCPRGLWICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-20(22,23)16-11-10-15(18(27)25-16)19(28)26-17(12-4-2-1-3-5-12)13-6-8-14(24)9-7-13/h1-11,17H,24H2,(H,25,27)(H,26,28).
What are the key properties of N-[(4-aminophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(4-aminophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 387.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).