(3S)-N-(5-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C15H14ClN3O — CID 28893634

IUPAC(3S)-N-(5-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H14ClN3O/c16-12-5-6-14(18-9-12)19-15(20)13-7-10-3-1-2-4-11(10)8-17-13/h1-6,9,13,17H,7-8H2,(H,18,19,20)/t13-/m0/s1
InChIKeyYRZNBJZVAAVJOB-ZDUSSCGKSA-N
MW287.75 g/mol
LogP2.39
Rot. Bonds2

About (3S)-N-(5-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3S)-N-(5-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 28893634) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is (3S)-N-(5-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID28893634
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name(3S)-N-(5-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H14ClN3O/c16-12-5-6-14(18-9-12)19-15(20)13-7-10-3-1-2-4-11(10)8-17-13/h1-6,9,13,17H,7-8H2,(H,18,19,20)/t13-/m0/s1
InChIKeyYRZNBJZVAAVJOB-ZDUSSCGKSA-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

N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185845
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892365
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
(2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
CID 24749623
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43044046
(3S)-N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104985001
(3R)-N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104985000
(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-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide
CID 114422738
(3R)-N-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 55130680

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3S)-N-(5-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 28893634) is (3S)-N-(5-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3S)-N-(5-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(Nc1ccc(Cl)cn1)[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of (3S)-N-(5-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is YRZNBJZVAAVJOB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-12-5-6-14(18-9-12)19-15(20)13-7-10-3-1-2-4-11(10)8-17-13/h1-6,9,13,17H,7-8H2,(H,18,19,20)/t13-/m0/s1.
What are the key properties of (3S)-N-(5-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3S)-N-(5-chloro-2-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 (3S)-N-(5-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 28893634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).