(3R)-N-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C16H17N3O — CID 106934992

IUPAC(3R)-N-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCN(C(=O)[C@H]1Cc2ccccc2CN1)c1ccncc1
InChIInChI=1S/C16H17N3O/c1-19(14-6-8-17-9-7-14)16(20)15-10-12-4-2-3-5-13(12)11-18-15/h2-9,15,18H,10-11H2,1H3/t15-/m1/s1
InChIKeyUUOVAOYHUGHQJZ-OAHLLOKOSA-N
MW267.33 g/mol
LogP1.76
Rot. Bonds2

About (3R)-N-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 106934992) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (3R)-N-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID106934992
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(3R)-N-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCN(C(=O)[C@H]1Cc2ccccc2CN1)c1ccncc1
InChIInChI=1S/C16H17N3O/c1-19(14-6-8-17-9-7-14)16(20)15-10-12-4-2-3-5-13(12)11-18-15/h2-9,15,18H,10-11H2,1H3/t15-/m1/s1
InChIKeyUUOVAOYHUGHQJZ-OAHLLOKOSA-N
XLogP1.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107734305
(3S)-N-methyl-N-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896435
N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24711803
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383
(3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896545
(3S)-N-methyl-N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896108
N-methyl-N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 60964201
(3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
CID 83021398
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43265856
(3R)-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28529670
methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate
CID 60963908
(3S)-N-methyl-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896139

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 106934992) is (3R)-N-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CN(C(=O)[C@H]1Cc2ccccc2CN1)c1ccncc1.
What is the InChIKey of (3R)-N-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is UUOVAOYHUGHQJZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19(14-6-8-17-9-7-14)16(20)15-10-12-4-2-3-5-13(12)11-18-15/h2-9,15,18H,10-11H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-N-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 106934992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).