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

C15H19N3O — CID 63224845

IUPAC(3R)-N-(1-cyanopropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCC(CC#N)N(C)C(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H19N3O/c1-11(7-8-16)18(2)15(19)14-9-12-5-3-4-6-13(12)10-17-14/h3-6,11,14,17H,7,9-10H2,1-2H3/t11?,14-/m1/s1
InChIKeyABZCBQGRHZGKDP-SBXXRYSUSA-N
MW257.34 g/mol
LogP1.46
Rot. Bonds3

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

(3R)-N-(1-cyanopropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 63224845) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (3R)-N-(1-cyanopropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-cyanopropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID63224845
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(3R)-N-(1-cyanopropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCC(CC#N)N(C)C(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H19N3O/c1-11(7-8-16)18(2)15(19)14-9-12-5-3-4-6-13(12)10-17-14/h3-6,11,14,17H,7,9-10H2,1-2H3/t11?,14-/m1/s1
InChIKeyABZCBQGRHZGKDP-SBXXRYSUSA-N
XLogP1.46
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-(1-cyanopropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703438
(3S)-N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896287
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43265856
(3S)-N-methyl-N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896108
(3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896545
(3S)-N-propan-2-yl-N-propyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896103
(3R)-N-(2-cyanoethyl)-N-cyclopropyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61157625
N-methyl-N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 60964201
N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24711803
(3S)-N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896257
2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
CID 61160671
N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24692970

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-cyanopropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-(1-cyanopropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 63224845) is (3R)-N-(1-cyanopropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-(1-cyanopropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-(1-cyanopropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CC(CC#N)N(C)C(=O)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-N-(1-cyanopropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is ABZCBQGRHZGKDP-SBXXRYSUSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(7-8-16)18(2)15(19)14-9-12-5-3-4-6-13(12)10-17-14/h3-6,11,14,17H,7,9-10H2,1-2H3/t11?,14-/m1/s1.
What are the key properties of (3R)-N-(1-cyanopropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-(1-cyanopropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-cyanopropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 63224845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).