(2R,3R)-N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-methyl-1-phenylpyrrolidine-3-carboxamide

C20H29N5O — CID 166320496

IUPAC(2R,3R)-N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-methyl-1-phenylpyrrolidine-3-carboxamide
SMILESCCC(C)c1n[nH]c(C(C)NC(=O)[C@@H]2CCN(c3ccccc3)[C@@H]2C)n1
InChIInChI=1S/C20H29N5O/c1-5-13(2)18-22-19(24-23-18)14(3)21-20(26)17-11-12-25(15(17)4)16-9-7-6-8-10-16/h6-10,13-15,17H,5,11-12H2,1-4H3,(H,21,26)(H,22,23,24)/t13?,14?,15-,17-/m1/s1
InChIKeyHNRSOJPDGUFFTP-OCUYMYNFSA-N
MW355.49 g/mol
LogP3.41
Rot. Bonds6

About (2R,3R)-N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-methyl-1-phenylpyrrolidine-3-carboxamide

(2R,3R)-N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-methyl-1-phenylpyrrolidine-3-carboxamide (PubChem CID 166320496) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is (2R,3R)-N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-methyl-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-methyl-1-phenylpyrrolidine-3-carboxamide
PubChem CID166320496
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name(2R,3R)-N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-methyl-1-phenylpyrrolidine-3-carboxamide
SMILESCCC(C)c1n[nH]c(C(C)NC(=O)[C@@H]2CCN(c3ccccc3)[C@@H]2C)n1
InChIInChI=1S/C20H29N5O/c1-5-13(2)18-22-19(24-23-18)14(3)21-20(26)17-11-12-25(15(17)4)16-9-7-6-8-10-16/h6-10,13-15,17H,5,11-12H2,1-4H3,(H,21,26)(H,22,23,24)/t13?,14?,15-,17-/m1/s1
InChIKeyHNRSOJPDGUFFTP-OCUYMYNFSA-N
XLogP3.41
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-methyl-1-phenylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-[[(1R)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 124725687
N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 100622833
N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 100623068
N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]acetamide
CID 166294796
1-benzoyl-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-sulfonamide
CID 146088384
(2R,3S)-1-(4-chlorophenyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96591785
2-methyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 79370399
6-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 114167863
2-methyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79382802
N-(1-phenylethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxamide
CID 42800674
N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152438
(2R,3S)-2-ethyl-1-methyl-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 125421685

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-methyl-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-methyl-1-phenylpyrrolidine-3-carboxamide (CID 166320496) is (2R,3R)-N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-methyl-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-methyl-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-methyl-1-phenylpyrrolidine-3-carboxamide is CCC(C)c1n[nH]c(C(C)NC(=O)[C@@H]2CCN(c3ccccc3)[C@@H]2C)n1.
What is the InChIKey of (2R,3R)-N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-methyl-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is HNRSOJPDGUFFTP-OCUYMYNFSA-N. The full InChI is InChI=1S/C20H29N5O/c1-5-13(2)18-22-19(24-23-18)14(3)21-20(26)17-11-12-25(15(17)4)16-9-7-6-8-10-16/h6-10,13-15,17H,5,11-12H2,1-4H3,(H,21,26)(H,22,23,24)/t13?,14?,15-,17-/m1/s1.
What are the key properties of (2R,3R)-N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-methyl-1-phenylpyrrolidine-3-carboxamide?
(2R,3R)-N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-methyl-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-methyl-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 166320496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).