N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C21H23N7O — CID 95874320

IUPACN-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESC[C@H](Nc1ccc(-c2nc(CCCc3ccccc3)no2)cn1)c1nncn1C
InChIInChI=1S/C21H23N7O/c1-15(20-26-23-14-28(20)2)24-18-12-11-17(13-22-18)21-25-19(27-29-21)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-15H,6,9-10H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyPCNGALGHBQVQIT-HNNXBMFYSA-N
MW389.46 g/mol
LogP3.61
Rot. Bonds8

About N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 95874320) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID95874320
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC NameN-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESC[C@H](Nc1ccc(-c2nc(CCCc3ccccc3)no2)cn1)c1nncn1C
InChIInChI=1S/C21H23N7O/c1-15(20-26-23-14-28(20)2)24-18-12-11-17(13-22-18)21-25-19(27-29-21)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-15H,6,9-10H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyPCNGALGHBQVQIT-HNNXBMFYSA-N
XLogP3.61
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine
CID 70706972
N-[(3S)-oxan-3-yl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 95895754
1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol
CID 70753740
(3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine
CID 95729450
5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 95730203
5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole
CID 95896088
4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one
CID 26402764
1-(2-methoxyethyl)-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(3-phenylpropyl)urea
CID 94970622
6-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63589349
6-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63586359
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine
CID 26329906
1-[2-(dimethylamino)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)urea
CID 94119987

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 95874320) is N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is C[C@H](Nc1ccc(-c2nc(CCCc3ccccc3)no2)cn1)c1nncn1C.
What is the InChIKey of N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is PCNGALGHBQVQIT-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-15(20-26-23-14-28(20)2)24-18-12-11-17(13-22-18)21-25-19(27-29-21)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-15H,6,9-10H2,1-2H3,(H,22,24)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 389.46 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 95874320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).