N-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

C16H16BrN3O — CID 83165588

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H16BrN3O/c1-10-7-13(17)9-19-15(10)20-16(21)12-4-5-14-11(8-12)3-2-6-18-14/h4-5,7-9,18H,2-3,6H2,1H3,(H,19,20,21)
InChIKeyQFFQVXAREZUZBR-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.76
Rot. Bonds2

About N-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 83165588) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID83165588
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H16BrN3O/c1-10-7-13(17)9-19-15(10)20-16(21)12-4-5-14-11(8-12)3-2-6-18-14/h4-5,7-9,18H,2-3,6H2,1H3,(H,19,20,21)
InChIKeyQFFQVXAREZUZBR-UHFFFAOYSA-N
XLogP3.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325681
N-(4-ethyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 104619305
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104618997
N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325639
N-(5-bromo-3-methyl-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide
CID 83171125
5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide
CID 63282312
N-(3-bromo-5-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 107583383
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104618763
N-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 63334695
2-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 83167261
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 103479340
N-(5-bromo-3-methyl-2-pyridinyl)-4-fluoro-3-methoxybenzamide
CID 81489117

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 83165588) is N-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is Cc1cc(Br)cnc1NC(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is QFFQVXAREZUZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-10-7-13(17)9-19-15(10)20-16(21)12-4-5-14-11(8-12)3-2-6-18-14/h4-5,7-9,18H,2-3,6H2,1H3,(H,19,20,21).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 346.23 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 83165588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).