N-(2,4-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carboxamide

C23H27N3O2 — CID 4902936

IUPACN-(2,4-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN2C(=O)C2Cc3ccccc3CN2)c(C)c1
InChIInChI=1S/C23H27N3O2/c1-15-9-10-19(16(2)12-15)25-22(27)21-8-5-11-26(21)23(28)20-13-17-6-3-4-7-18(17)14-24-20/h3-4,6-7,9-10,12,20-21,24H,5,8,11,13-14H2,1-2H3,(H,25,27)
InChIKeyRSJWOWVMKRUPFD-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.95
Rot. Bonds3

About N-(2,4-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carboxamide

N-(2,4-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 4902936) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID4902936
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-(2,4-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN2C(=O)C2Cc3ccccc3CN2)c(C)c1
InChIInChI=1S/C23H27N3O2/c1-15-9-10-19(16(2)12-15)25-22(27)21-8-5-11-26(21)23(28)20-13-17-6-3-4-7-18(17)14-24-20/h3-4,6-7,9-10,12,20-21,24H,5,8,11,13-14H2,1-2H3,(H,25,27)
InChIKeyRSJWOWVMKRUPFD-UHFFFAOYSA-N
XLogP2.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-methoxyphenyl)-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide
CID 40805739
methyl (2R)-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxylate;hydrochloride
CID 67873772
tert-butyl 2-[(2,4-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876304
1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide
CID 104896094
(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
(2S)-N-(oxolan-2-ylmethyl)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 44666751
(3R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 131948570
(2S)-1-N-(3-acetylphenyl)-2-N-(2,4-dimethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1443428
(2R)-N-(furan-2-ylmethyl)-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide
CID 40958031
2-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370364
2-[1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61371545

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carboxamide (CID 4902936) is N-(2,4-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carboxamide is Cc1ccc(NC(=O)C2CCCN2C(=O)C2Cc3ccccc3CN2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is RSJWOWVMKRUPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15-9-10-19(16(2)12-15)25-22(27)21-8-5-11-26(21)23(28)20-13-17-6-3-4-7-18(17)14-24-20/h3-4,6-7,9-10,12,20-21,24H,5,8,11,13-14H2,1-2H3,(H,25,27).
What are the key properties of N-(2,4-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carboxamide?
N-(2,4-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 4902936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).