N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide

C18H25N5O — CID 125169907

IUPACN-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
SMILESC[C@H](CN1CCc2ccccc2C1)NC(=O)CCc1nncn1C
InChIInChI=1S/C18H25N5O/c1-14(20-18(24)8-7-17-21-19-13-22(17)2)11-23-10-9-15-5-3-4-6-16(15)12-23/h3-6,13-14H,7-12H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyYQJWOOPMOJHGCG-CQSZACIVSA-N
MW327.43 g/mol
LogP1.31
Rot. Bonds6

About N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide

N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide (PubChem CID 125169907) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
PubChem CID125169907
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
SMILESC[C@H](CN1CCc2ccccc2C1)NC(=O)CCc1nncn1C
InChIInChI=1S/C18H25N5O/c1-14(20-18(24)8-7-17-21-19-13-22(17)2)11-23-10-9-15-5-3-4-6-16(15)12-23/h3-6,13-14H,7-12H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyYQJWOOPMOJHGCG-CQSZACIVSA-N
XLogP1.31
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 122244932
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 155913072
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 125446347
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide
CID 82079357
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2H-triazole-4-carboxamide
CID 95707705
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 74241623
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 70746163
N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 97131820
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 95716732
tert-butyl N-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]carbamate
CID 174380521
2-(hydroxyamino)-N-[(2S)-1-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
CID 138652280
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 74235313

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide (CID 125169907) is N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide is C[C@H](CN1CCc2ccccc2C1)NC(=O)CCc1nncn1C.
What is the InChIKey of N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is YQJWOOPMOJHGCG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14(20-18(24)8-7-17-21-19-13-22(17)2)11-23-10-9-15-5-3-4-6-16(15)12-23/h3-6,13-14H,7-12H2,1-2H3,(H,20,24)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 327.43 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 125169907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).