N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide

C17H24N6O3 — CID 122558635

IUPACN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
SMILESCOCc1noc(CNC(=O)N2CCCN(Cc3cccnc3)CC2)n1
InChIInChI=1S/C17H24N6O3/c1-25-13-15-20-16(26-21-15)11-19-17(24)23-7-3-6-22(8-9-23)12-14-4-2-5-18-10-14/h2,4-5,10H,3,6-9,11-13H2,1H3,(H,19,24)
InChIKeyMUGJBDGXADIJSS-UHFFFAOYSA-N
MW360.42 g/mol
LogP1.03
Rot. Bonds6

About N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide

N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide (PubChem CID 122558635) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
PubChem CID122558635
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC NameN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
SMILESCOCc1noc(CNC(=O)N2CCCN(Cc3cccnc3)CC2)n1
InChIInChI=1S/C17H24N6O3/c1-25-13-15-20-16(26-21-15)11-19-17(24)23-7-3-6-22(8-9-23)12-14-4-2-5-18-10-14/h2,4-5,10H,3,6-9,11-13H2,1H3,(H,19,24)
InChIKeyMUGJBDGXADIJSS-UHFFFAOYSA-N
XLogP1.03
TPSA96.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

4-acetyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide
CID 122560318
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 118766446
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72932689
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 122556066
N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 74224967
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 119070661
N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 23993903
2-phenylmethoxy-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 70721631
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 96516582

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide (CID 122558635) is N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide is COCc1noc(CNC(=O)N2CCCN(Cc3cccnc3)CC2)n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide?
The InChIKey is MUGJBDGXADIJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-25-13-15-20-16(26-21-15)11-19-17(24)23-7-3-6-22(8-9-23)12-14-4-2-5-18-10-14/h2,4-5,10H,3,6-9,11-13H2,1H3,(H,19,24).
What are the key properties of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide?
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 122558635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).