N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C17H16F3N3O2 — CID 155464721

IUPACN-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)NCCC2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C17H16F3N3O2/c1-9-2-3-10-12(6-7-21-13(10)8-9)22-15(24)11-4-5-14(17(18,19)20)23-16(11)25/h2-5,8,12,21H,6-7H2,1H3,(H,22,24)(H,23,25)
InChIKeyDNNVKUNBCLNLDV-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.99
Rot. Bonds2

About N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464721) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464721
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)NCCC2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C17H16F3N3O2/c1-9-2-3-10-12(6-7-21-13(10)8-9)22-15(24)11-4-5-14(17(18,19)20)23-16(11)25/h2-5,8,12,21H,6-7H2,1H3,(H,22,24)(H,23,25)
InChIKeyDNNVKUNBCLNLDV-UHFFFAOYSA-N
XLogP2.99
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

6-(Propan-2-ylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 10199303
7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinolin-2-one
CID 168285892
8-ethyl-4-(trifluoromethyl)-1H,2H,6H,7H,8H,9H-pyrido[3,2-g]quinolin-2-one
CID 23648042
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-(7-Methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-N-(2-m-tolyl-ethyl)-acetamide
CID 1453411
7-Methyl-3-[(2-o-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176400
7-Methyl-3-[(2-m-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176403
3-[(tert-butylamino)methyl]-7-methylquinolin-2(1H)-one
CID 662793
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 44248793
N-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 46682613
N-cyclopentyl-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 47358375

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464721) is N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1ccc2c(c1)NCCC2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is DNNVKUNBCLNLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-9-2-3-10-12(6-7-21-13(10)8-9)22-15(24)11-4-5-14(17(18,19)20)23-16(11)25/h2-5,8,12,21H,6-7H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 351.33 g/mol, XLogP of 2.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).