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

C15H14ClN3O — CID 103094263

IUPACN-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1ncccc1Cl)C1Cc2ccccc2CN1
InChIInChI=1S/C15H14ClN3O/c16-12-6-3-7-17-14(12)19-15(20)13-8-10-4-1-2-5-11(10)9-18-13/h1-7,13,18H,8-9H2,(H,17,19,20)
InChIKeyUBLPNXVDFKVHHD-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.39
Rot. Bonds2

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

N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 103094263) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID103094263
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC NameN-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1ncccc1Cl)C1Cc2ccccc2CN1
InChIInChI=1S/C15H14ClN3O/c16-12-6-3-7-17-14(12)19-15(20)13-8-10-4-1-2-5-11(10)9-18-13/h1-7,13,18H,8-9H2,(H,17,19,20)
InChIKeyUBLPNXVDFKVHHD-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

N-(4-chloro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 83167588
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103479491
(3S)-N-(5-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28893634
N-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide
CID 103094179
N-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43616172
(3R)-N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28514089
(3S)-N-(4-bromo-2-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896096
(3R)-N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 125150718
N-(1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185858
N-(6-fluoro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103794922
(3S)-N-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896409
N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185845

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 103094263) is N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(Nc1ncccc1Cl)C1Cc2ccccc2CN1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is UBLPNXVDFKVHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-12-6-3-7-17-14(12)19-15(20)13-8-10-4-1-2-5-11(10)9-18-13/h1-7,13,18H,8-9H2,(H,17,19,20).
What are the key properties of N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-(3-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 N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 103094263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).