3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide

C15H14BrN3O — CID 107519997

IUPAC3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCCN2)c1ncccc1Br
InChIInChI=1S/C15H14BrN3O/c16-12-4-2-8-18-14(12)15(20)19-11-5-6-13-10(9-11)3-1-7-17-13/h2,4-6,8-9,17H,1,3,7H2,(H,19,20)
InChIKeyKYFTYETYZWRISB-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.45
Rot. Bonds2

About 3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide

3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide (PubChem CID 107519997) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide
PubChem CID107519997
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCCN2)c1ncccc1Br
InChIInChI=1S/C15H14BrN3O/c16-12-4-2-8-18-14(12)15(20)19-11-5-6-13-10(9-11)3-1-7-17-13/h2,4-6,8-9,17H,1,3,7H2,(H,19,20)
InChIKeyKYFTYETYZWRISB-UHFFFAOYSA-N
XLogP3.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide
CID 63282312
N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide
CID 63282573
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
3-bromo-5-chloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 107939898
5-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazine-2-carboxamide;dihydrochloride
CID 119547211
N-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride
CID 119547224
5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 65311484
3-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-4-carboxamide
CID 81445909
3-pyridin-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide
CID 81485558
5-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboxamide
CID 63283038
3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 107518741
3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 107518403

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide (CID 107519997) is 3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide is O=C(Nc1ccc2c(c1)CCCN2)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide?
The InChIKey is KYFTYETYZWRISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c16-12-4-2-8-18-14(12)15(20)19-11-5-6-13-10(9-11)3-1-7-17-13/h2,4-6,8-9,17H,1,3,7H2,(H,19,20).
What are the key properties of 3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide?
3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide has a molecular weight of 332.20 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide is sourced from PubChem (CID 107519997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).