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

C18H18N4O2 — CID 87050158

IUPACN-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESCOc1ccc(-c2nnc(-c3cccnc3NCC3CC3)o2)cc1
InChIInChI=1S/C18H18N4O2/c1-23-14-8-6-13(7-9-14)17-21-22-18(24-17)15-3-2-10-19-16(15)20-11-12-4-5-12/h2-3,6-10,12H,4-5,11H2,1H3,(H,19,20)
InChIKeyBCJLUYIBWFMWFW-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.63
Rot. Bonds6

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

N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (PubChem CID 87050158) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
PubChem CID87050158
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESCOc1ccc(-c2nnc(-c3cccnc3NCC3CC3)o2)cc1
InChIInChI=1S/C18H18N4O2/c1-23-14-8-6-13(7-9-14)17-21-22-18(24-17)15-3-2-10-19-16(15)20-11-12-4-5-12/h2-3,6-10,12H,4-5,11H2,1H3,(H,19,20)
InChIKeyBCJLUYIBWFMWFW-UHFFFAOYSA-N
XLogP3.63
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (CID 87050158) is N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is COc1ccc(-c2nnc(-c3cccnc3NCC3CC3)o2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The InChIKey is BCJLUYIBWFMWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-23-14-8-6-13(7-9-14)17-21-22-18(24-17)15-3-2-10-19-16(15)20-11-12-4-5-12/h2-3,6-10,12H,4-5,11H2,1H3,(H,19,20).
What are the key properties of N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine has a molecular weight of 322.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 87050158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).