(3R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C22H25N3O2 — CID 131948570

IUPAC(3R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C22H25N3O2/c1-15-12-17(22(27)25-10-4-5-11-25)8-9-19(15)24-21(26)20-13-16-6-2-3-7-18(16)14-23-20/h2-3,6-9,12,20,23H,4-5,10-11,13-14H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyABNHZVCOVOWGBZ-HXUWFJFHSA-N
MW363.46 g/mol
LogP2.88
Rot. Bonds3

About (3R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 131948570) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (3R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID131948570
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(3R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C22H25N3O2/c1-15-12-17(22(27)25-10-4-5-11-25)8-9-19(15)24-21(26)20-13-16-6-2-3-7-18(16)14-23-20/h2-3,6-9,12,20,23H,4-5,10-11,13-14H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyABNHZVCOVOWGBZ-HXUWFJFHSA-N
XLogP2.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 154915135
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119759921
N-(2,4-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carboxamide
CID 4902936
N-(2-hydroxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 79590378
azocan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 43211891
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119261624
(3S)-N-[2-(2,4-dimethylanilino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 44665934
(3R)-N-[[4-[(2,4-dimethylphenyl)carbamoyl]cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 26909822
(3S)-N-(2,4-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896196
(3R)-N-(1,3-dimethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 102805612
N-(2-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24690302
N-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119287180

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 131948570) is (3R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is ABNHZVCOVOWGBZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-12-17(22(27)25-10-4-5-11-25)8-9-19(15)24-21(26)20-13-16-6-2-3-7-18(16)14-23-20/h2-3,6-9,12,20,23H,4-5,10-11,13-14H2,1H3,(H,24,26)/t20-/m1/s1.
What are the key properties of (3R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 131948570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).