2-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide;hydrochloride

C15H15Cl2N3O — CID 75495881

IUPAC2-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)CNCC2)c1cccnc1Cl
InChIInChI=1S/C15H14ClN3O.ClH/c16-14-13(2-1-6-18-14)15(20)19-12-4-3-10-5-7-17-9-11(10)8-12;/h1-4,6,8,17H,5,7,9H2,(H,19,20);1H
InChIKeyOQCIDPULNBVZSJ-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.05
Rot. Bonds2

About 2-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide;hydrochloride

2-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide;hydrochloride (PubChem CID 75495881) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 2-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide;hydrochloride
PubChem CID75495881
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name2-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)CNCC2)c1cccnc1Cl
InChIInChI=1S/C15H14ClN3O.ClH/c16-14-13(2-1-6-18-14)15(20)19-12-4-3-10-5-7-17-9-11(10)8-12;/h1-4,6,8,17H,5,7,9H2,(H,19,20);1H
InChIKeyOQCIDPULNBVZSJ-UHFFFAOYSA-N
XLogP3.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide
CID 63900928
2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901931
2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901524
3-chloro-2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 107098171
2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride
CID 119581059
3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901337
2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 107983127
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide
CID 63901115
N-(4-bromophenyl)-2-chloropyridine-3-carboxamide
CID 4604195
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride
CID 119581069
2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901319
4-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 44536182

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide;hydrochloride (CID 75495881) is 2-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2c(c1)CNCC2)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is OQCIDPULNBVZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O.ClH/c16-14-13(2-1-6-18-14)15(20)19-12-4-3-10-5-7-17-9-11(10)8-12;/h1-4,6,8,17H,5,7,9H2,(H,19,20);1H.
What are the key properties of 2-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide;hydrochloride?
2-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 324.21 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 75495881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).