3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide

C15H14ClN3O — CID 66482233

IUPAC3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)NCCC2)c1ccncc1Cl
InChIInChI=1S/C15H14ClN3O/c16-13-9-17-7-5-12(13)15(20)19-11-4-3-10-2-1-6-18-14(10)8-11/h3-5,7-9,18H,1-2,6H2,(H,19,20)
InChIKeySJJVAGVDLJMESS-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.35
Rot. Bonds2

About 3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide

3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide (PubChem CID 66482233) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide
PubChem CID66482233
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)NCCC2)c1ccncc1Cl
InChIInChI=1S/C15H14ClN3O/c16-13-9-17-7-5-12(13)15(20)19-11-4-3-10-2-1-6-18-14(10)8-11/h3-5,7-9,18H,1-2,6H2,(H,19,20)
InChIKeySJJVAGVDLJMESS-UHFFFAOYSA-N
XLogP3.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide
CID 102922274
2,6-dichloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930601
2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283086
3-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-4-carboxamide
CID 81445909
2-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-ylcarbamoyl)benzamide
CID 11530352
5-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxamide
CID 104639273
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930393
3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 82877814
1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
CID 63928941
5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide
CID 63929568
N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-carboxamide
CID 63928514
1,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide
CID 63928927

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide (CID 66482233) is 3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide is O=C(Nc1ccc2c(c1)NCCC2)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide?
The InChIKey is SJJVAGVDLJMESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-13-9-17-7-5-12(13)15(20)19-11-4-3-10-2-1-6-18-14(10)8-11/h3-5,7-9,18H,1-2,6H2,(H,19,20).
What are the key properties of 3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide?
3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide has a molecular weight of 287.75 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide is sourced from PubChem (CID 66482233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).