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

C15H14BrN3O — CID 63282312

IUPAC5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCCN2)c1ccc(Br)cn1
InChIInChI=1S/C15H14BrN3O/c16-11-3-5-14(18-9-11)15(20)19-12-4-6-13-10(8-12)2-1-7-17-13/h3-6,8-9,17H,1-2,7H2,(H,19,20)
InChIKeySNVBRIYCBVYDIL-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.45
Rot. Bonds2

About 5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide

5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide (PubChem CID 63282312) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide
PubChem CID63282312
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCCN2)c1ccc(Br)cn1
InChIInChI=1S/C15H14BrN3O/c16-11-3-5-14(18-9-11)15(20)19-12-4-6-13-10(8-12)2-1-7-17-13/h3-6,8-9,17H,1-2,7H2,(H,19,20)
InChIKeySNVBRIYCBVYDIL-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-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazine-2-carboxamide;dihydrochloride
CID 119547211
3-bromo-5-chloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 107939898
3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide
CID 107519997
5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 65311484
5-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxamide
CID 104639273
N-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride
CID 119547224
3-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-4-carboxamide
CID 81445909
N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide
CID 63282573
5-chloro-2-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283438
2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283086
N-(2H-benzotriazol-5-yl)-5-bromopyridine-2-carboxamide
CID 75513025
4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide
CID 63252902

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide (CID 63282312) is 5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide is O=C(Nc1ccc2c(c1)CCCN2)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide?
The InChIKey is SNVBRIYCBVYDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c16-11-3-5-14(18-9-11)15(20)19-12-4-6-13-10(8-12)2-1-7-17-13/h3-6,8-9,17H,1-2,7H2,(H,19,20).
What are the key properties of 5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide?
5-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 5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide is sourced from PubChem (CID 63282312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).