2-amino-N-[(1S,2S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxypropyl]-2-methylpropanamide

C21H24N6O2 — CID 58784084

IUPAC2-amino-N-[(1S,2S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxypropyl]-2-methylpropanamide
SMILESC[C@H](OCc1ccccc1)[C@@H](NC(=O)C(C)(C)N)c1nnc2ccc(C#N)cn12
InChIInChI=1S/C21H24N6O2/c1-14(29-13-15-7-5-4-6-8-15)18(24-20(28)21(2,3)23)19-26-25-17-10-9-16(11-22)12-27(17)19/h4-10,12,14,18H,13,23H2,1-3H3,(H,24,28)/t14-,18+/m0/s1
InChIKeyQLSYAGZQWOETIU-KBXCAEBGSA-N
MW392.46 g/mol
LogP2.10
Rot. Bonds7

About 2-amino-N-[(1S,2S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxypropyl]-2-methylpropanamide

2-amino-N-[(1S,2S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxypropyl]-2-methylpropanamide (PubChem CID 58784084) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-amino-N-[(1S,2S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxypropyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(1S,2S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxypropyl]-2-methylpropanamide
PubChem CID58784084
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-amino-N-[(1S,2S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxypropyl]-2-methylpropanamide
SMILESC[C@H](OCc1ccccc1)[C@@H](NC(=O)C(C)(C)N)c1nnc2ccc(C#N)cn12
InChIInChI=1S/C21H24N6O2/c1-14(29-13-15-7-5-4-6-8-15)18(24-20(28)21(2,3)23)19-26-25-17-10-9-16(11-22)12-27(17)19/h4-10,12,14,18H,13,23H2,1-3H3,(H,24,28)/t14-,18+/m0/s1
InChIKeyQLSYAGZQWOETIU-KBXCAEBGSA-N
XLogP2.10
TPSA118.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-[(1S,2S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxypropyl]-2-methylpropanamide 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

2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide
CID 10044493
2-amino-N-[(1S)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide
CID 10068827
2-amino-2-methyl-N-[(1S)-1-(6-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide
CID 70800627
2-amino-N-[(1S)-1-(6-cyano-8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide
CID 58783900
2-amino-N-[(1S)-1-(8-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;methane
CID 158119006
2-amino-2-methyl-N-[(1S)-1-(6-methylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;6-methylsulfanyl-3-[(2S)-1-phenylmethoxypropan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 157165971
3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392564
tert-butyl N-[(2S,3S)-1-amino-1-oxo-3-phenylmethoxybutan-2-yl]carbamate
CID 7035922
2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;methane
CID 159226946
2-amino-N-[(1R)-2-(4-tert-butylphenyl)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-methylpropanamide
CID 58783610
N-(4-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187551
2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[5-(pyridin-2-yloxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide
CID 58783721

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S,2S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxypropyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(1S,2S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxypropyl]-2-methylpropanamide (CID 58784084) is 2-amino-N-[(1S,2S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxypropyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(1S,2S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxypropyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(1S,2S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxypropyl]-2-methylpropanamide is C[C@H](OCc1ccccc1)[C@@H](NC(=O)C(C)(C)N)c1nnc2ccc(C#N)cn12.
What is the InChIKey of 2-amino-N-[(1S,2S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxypropyl]-2-methylpropanamide?
The InChIKey is QLSYAGZQWOETIU-KBXCAEBGSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14(29-13-15-7-5-4-6-8-15)18(24-20(28)21(2,3)23)19-26-25-17-10-9-16(11-22)12-27(17)19/h4-10,12,14,18H,13,23H2,1-3H3,(H,24,28)/t14-,18+/m0/s1.
What are the key properties of 2-amino-N-[(1S,2S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxypropyl]-2-methylpropanamide?
2-amino-N-[(1S,2S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxypropyl]-2-methylpropanamide has a molecular weight of 392.46 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S,2S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxypropyl]-2-methylpropanamide is sourced from PubChem (CID 58784084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).