N-(4-chloro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C15H14ClN3O — CID 83167588

IUPACN-(4-chloro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1cnccc1Cl)C1Cc2ccccc2CN1
InChIInChI=1S/C15H14ClN3O/c16-12-5-6-17-9-14(12)19-15(20)13-7-10-3-1-2-4-11(10)8-18-13/h1-6,9,13,18H,7-8H2,(H,19,20)
InChIKeyMZRHZOBXJKILIG-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.39
Rot. Bonds2

About N-(4-chloro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-(4-chloro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 83167588) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is N-(4-chloro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID83167588
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC NameN-(4-chloro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1cnccc1Cl)C1Cc2ccccc2CN1
InChIInChI=1S/C15H14ClN3O/c16-12-5-6-17-9-14(12)19-15(20)13-7-10-3-1-2-4-11(10)8-18-13/h1-6,9,13,18H,7-8H2,(H,19,20)
InChIKeyMZRHZOBXJKILIG-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107594914
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103479491
N-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43616172
N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103094263
(3S)-N-(4-bromo-2-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896096
(3S)-N-(5-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28893634
(3R)-N-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61178668
(3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61178129
N-(2-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24690302
N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide
CID 78965831
(3R)-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28529670
N-(3-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 81497243

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-(4-chloro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 83167588) is N-(4-chloro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(Nc1cnccc1Cl)C1Cc2ccccc2CN1.
What is the InChIKey of N-(4-chloro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is MZRHZOBXJKILIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-12-5-6-17-9-14(12)19-15(20)13-7-10-3-1-2-4-11(10)8-18-13/h1-6,9,13,18H,7-8H2,(H,19,20).
What are the key properties of N-(4-chloro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-(4-chloro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 287.75 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 83167588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).