N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

C16H17N3O — CID 79015224

IUPACN-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc2c(c1)CNCC2
InChIInChI=1S/C16H17N3O/c20-16(19-11-15-3-1-2-7-18-15)13-5-4-12-6-8-17-10-14(12)9-13/h1-5,7,9,17H,6,8,10-11H2,(H,19,20)
InChIKeyZNTZRSQELXUONB-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.66
Rot. Bonds3

About N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 79015224) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID79015224
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc2c(c1)CNCC2
InChIInChI=1S/C16H17N3O/c20-16(19-11-15-3-1-2-7-18-15)13-5-4-12-6-8-17-10-14(12)9-13/h1-5,7,9,17H,6,8,10-11H2,(H,19,20)
InChIKeyZNTZRSQELXUONB-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 82171879
N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 63716738
4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 62678700
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998603
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide
CID 18315403
N-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 82171878
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
butanedioic acid;4-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)amino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 66706624
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106175565

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 79015224) is N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is O=C(NCc1ccccn1)c1ccc2c(c1)CNCC2.
What is the InChIKey of N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is ZNTZRSQELXUONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16(19-11-15-3-1-2-7-18-15)13-5-4-12-6-8-17-10-14(12)9-13/h1-5,7,9,17H,6,8,10-11H2,(H,19,20).
What are the key properties of N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 79015224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).