N-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide

C17H19N3O — CID 112509693

IUPACN-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
SMILESO=C(CC1NCCc2ccccc21)NCc1cccnc1
InChIInChI=1S/C17H19N3O/c21-17(20-12-13-4-3-8-18-11-13)10-16-15-6-2-1-5-14(15)7-9-19-16/h1-6,8,11,16,19H,7,9-10,12H2,(H,20,21)
InChIKeySCBWXLOBHWKLBZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.97
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide

N-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide (PubChem CID 112509693) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
PubChem CID112509693
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
SMILESO=C(CC1NCCc2ccccc21)NCc1cccnc1
InChIInChI=1S/C17H19N3O/c21-17(20-12-13-4-3-8-18-11-13)10-16-15-6-2-1-5-14(15)7-9-19-16/h1-6,8,11,16,19H,7,9-10,12H2,(H,20,21)
InChIKeySCBWXLOBHWKLBZ-UHFFFAOYSA-N
XLogP1.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 40535831
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
CID 2733683
2-(2,5-dioxoimidazolidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47150142
2-piperidin-3-yl-N-(pyridin-3-ylmethyl)acetamide
CID 62675411
N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260981
2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 75370672
N-butan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 82086263
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 79607003
N-(2-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 5100540
N-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 41385144
N-[(6-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 62996110
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-pyridin-3-ylacetamide
CID 99957581

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide (CID 112509693) is N-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide is O=C(CC1NCCc2ccccc21)NCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The InChIKey is SCBWXLOBHWKLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(20-12-13-4-3-8-18-11-13)10-16-15-6-2-1-5-14(15)7-9-19-16/h1-6,8,11,16,19H,7,9-10,12H2,(H,20,21).
What are the key properties of N-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
N-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide has a molecular weight of 281.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide is sourced from PubChem (CID 112509693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).