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

C20H21N7O2 — CID 25311019

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCCn1cnnc1CN(C)c1ccc(-c2nc(COc3ccccc3)no2)cn1
InChIInChI=1S/C20H21N7O2/c1-3-27-14-22-24-19(27)12-26(2)18-10-9-15(11-21-18)20-23-17(25-29-20)13-28-16-7-5-4-6-8-16/h4-11,14H,3,12-13H2,1-2H3
InChIKeyPMLDVWUIDAFBDJ-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.96
Rot. Bonds8

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 25311019) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID25311019
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCCn1cnnc1CN(C)c1ccc(-c2nc(COc3ccccc3)no2)cn1
InChIInChI=1S/C20H21N7O2/c1-3-27-14-22-24-19(27)12-26(2)18-10-9-15(11-21-18)20-23-17(25-29-20)13-28-16-7-5-4-6-8-16/h4-11,14H,3,12-13H2,1-2H3
InChIKeyPMLDVWUIDAFBDJ-UHFFFAOYSA-N
XLogP2.96
TPSA94.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
CID 26328511
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine
CID 28823846
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine
CID 28953742
N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 28954828
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine
CID 26329906
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 28685485
5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 95716077
2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844897
2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104937955
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63844535
[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 106484747

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 25311019) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is CCn1cnnc1CN(C)c1ccc(-c2nc(COc3ccccc3)no2)cn1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is PMLDVWUIDAFBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-3-27-14-22-24-19(27)12-26(2)18-10-9-15(11-21-18)20-23-17(25-29-20)13-28-16-7-5-4-6-8-16/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 391.44 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 25311019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).