N-[(1R)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-2-carboxamide

C25H31N5O2 — CID 143864483

IUPACN-[(1R)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](C)NC(=O)C2CCCN2)cc1
InChIInChI=1S/C25H31N5O2/c1-18(27-25(31)22-9-6-16-26-22)24-29-28-23(15-12-19-7-4-3-5-8-19)30(24)17-20-10-13-21(32-2)14-11-20/h3-5,7-8,10-11,13-14,18,22,26H,6,9,12,15-17H2,1-2H3,(H,27,31)/t18-,22?/m1/s1
InChIKeyGQFQFMXPDOLZPU-ZZWBGTBQSA-N
MW433.56 g/mol
LogP3.05
Rot. Bonds9

About N-[(1R)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-2-carboxamide

N-[(1R)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 143864483) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[(1R)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-2-carboxamide
PubChem CID143864483
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-[(1R)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](C)NC(=O)C2CCCN2)cc1
InChIInChI=1S/C25H31N5O2/c1-18(27-25(31)22-9-6-16-26-22)24-29-28-23(15-12-19-7-4-3-5-8-19)30(24)17-20-10-13-21(32-2)14-11-20/h3-5,7-8,10-11,13-14,18,22,26H,6,9,12,15-17H2,1-2H3,(H,27,31)/t18-,22?/m1/s1
InChIKeyGQFQFMXPDOLZPU-ZZWBGTBQSA-N
XLogP3.05
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]piperidine-4-carboxamide
CID 143864478
N-[(1R)-1-[4-[(2,4-dimethoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide
CID 59554607
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369
(2R)-2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]cyclohexane-1-carboxamide
CID 59554608
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119836858
(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81387712
benzyl 3-(pyrrolidine-2-carbonylamino)butanoate
CID 18339709
2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]propanamide
CID 68740263
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
(2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119890016
N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119262921

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(1R)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-2-carboxamide (CID 143864483) is N-[(1R)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-2-carboxamide is COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](C)NC(=O)C2CCCN2)cc1.
What is the InChIKey of N-[(1R)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is GQFQFMXPDOLZPU-ZZWBGTBQSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-18(27-25(31)22-9-6-16-26-22)24-29-28-23(15-12-19-7-4-3-5-8-19)30(24)17-20-10-13-21(32-2)14-11-20/h3-5,7-8,10-11,13-14,18,22,26H,6,9,12,15-17H2,1-2H3,(H,27,31)/t18-,22?/m1/s1.
What are the key properties of N-[(1R)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-2-carboxamide?
N-[(1R)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 143864483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).