N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C16H17N3O — CID 65260981

IUPACN-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CNCc2ccccc21
InChIInChI=1S/C16H17N3O/c20-16(19-9-12-4-3-7-17-8-12)15-11-18-10-13-5-1-2-6-14(13)15/h1-8,15,18H,9-11H2,(H,19,20)
InChIKeyGYJQWCHWYYAYSV-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.58
Rot. Bonds3

About N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65260981) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65260981
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CNCc2ccccc21
InChIInChI=1S/C16H17N3O/c20-16(19-9-12-4-3-7-17-8-12)15-11-18-10-13-5-1-2-6-14(13)15/h1-8,15,18H,9-11H2,(H,19,20)
InChIKeyGYJQWCHWYYAYSV-UHFFFAOYSA-N
XLogP1.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262263
N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260647
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 79231898
N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262248
N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260937
(15S)-N-(pyridin-3-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 802639
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106381202
N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106175930
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
(1R)-2-acetyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 95101655

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65260981) is N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is O=C(NCc1cccnc1)C1CNCc2ccccc21.
What is the InChIKey of N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is GYJQWCHWYYAYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16(19-9-12-4-3-7-17-8-12)15-11-18-10-13-5-1-2-6-14(13)15/h1-8,15,18H,9-11H2,(H,19,20).
What are the key properties of N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65260981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).