N-[2-(azepan-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine

C22H27N5O2 — CID 53134016

IUPACN-[2-(azepan-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESCOc1ccc(-c2nnc(-c3cccnc3NCCN3CCCCCC3)o2)cc1
InChIInChI=1S/C22H27N5O2/c1-28-18-10-8-17(9-11-18)21-25-26-22(29-21)19-7-6-12-23-20(19)24-13-16-27-14-4-2-3-5-15-27/h6-12H,2-5,13-16H2,1H3,(H,23,24)
InChIKeyPAMAPEXAHSVFML-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.10
Rot. Bonds7

About N-[2-(azepan-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine

N-[2-(azepan-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (PubChem CID 53134016) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
PubChem CID53134016
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[2-(azepan-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESCOc1ccc(-c2nnc(-c3cccnc3NCCN3CCCCCC3)o2)cc1
InChIInChI=1S/C22H27N5O2/c1-28-18-10-8-17(9-11-18)21-25-26-22(29-21)19-7-6-12-23-20(19)24-13-16-27-14-4-2-3-5-15-27/h6-12H,2-5,13-16H2,1H3,(H,23,24)
InChIKeyPAMAPEXAHSVFML-UHFFFAOYSA-N
XLogP4.10
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(azepan-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine with MolForge

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Related Compounds

N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-pyridin-2-yl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884950
Diethyl-[3-[[5-[5-(4-isobutoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridyl]amino]propyl]amine
CID 2526579
2-(4-Pyridin-2-ylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 162673871
2-(4-Methoxyphenyl)-5-(3-pyridinyl)-1,3,4-oxadiazole
CID 865615
5-(3-Methoxyphenyl)-3-[5-(4-piperidyl)-1,3,4-oxadiazol-2-yl]-pyridin-2-amine
CID 77105958
5-(3-Methoxy-phenyl)-3-[5-(1-methyl-piperidin-4-yl)-[1,3,4]oxadiazol-2-yl]-pyridin-2-ylamine
CID 77105959
US11401270, Example 123
CID 142566871
US11401270, Example 129
CID 142566909
US11401270, Example 116
CID 142566974
US11401270, Example 152
CID 142566978
US11401270, Example 115
CID 142566982
US11401270, Example 151
CID 142567012

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (CID 53134016) is N-[2-(azepan-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is COc1ccc(-c2nnc(-c3cccnc3NCCN3CCCCCC3)o2)cc1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The InChIKey is PAMAPEXAHSVFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-28-18-10-8-17(9-11-18)21-25-26-22(29-21)19-7-6-12-23-20(19)24-13-16-27-14-4-2-3-5-15-27/h6-12H,2-5,13-16H2,1H3,(H,23,24).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
N-[2-(azepan-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine has a molecular weight of 393.49 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 53134016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).