[4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine

C14H13N5O — CID 114324878

IUPAC[4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nc(Cc3ccccn3)no2)ccn1
InChIInChI=1S/C14H13N5O/c15-9-12-7-10(4-6-17-12)14-18-13(19-20-14)8-11-3-1-2-5-16-11/h1-7H,8-9,15H2
InChIKeyWCUUEDNDAXZVNV-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.58
Rot. Bonds4

About [4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine

[4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine (PubChem CID 114324878) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is [4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
PubChem CID114324878
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name[4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nc(Cc3ccccn3)no2)ccn1
InChIInChI=1S/C14H13N5O/c15-9-12-7-10(4-6-17-12)14-18-13(19-20-14)8-11-3-1-2-5-16-11/h1-7H,8-9,15H2
InChIKeyWCUUEDNDAXZVNV-UHFFFAOYSA-N
XLogP1.58
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811600
2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63793713
2-fluoro-5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 60837259
[4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324949
[4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324906
[4-[3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 167848574
5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine
CID 114324963
[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 114324869
[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62596515
3-fluoro-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827593
[4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 115528746
(S)-phenyl-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 28538355

Frequently Asked Questions

What is the IUPAC name of [4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine (CID 114324878) is [4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine is NCc1cc(-c2nc(Cc3ccccn3)no2)ccn1.
What is the InChIKey of [4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
The InChIKey is WCUUEDNDAXZVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c15-9-12-7-10(4-6-17-12)14-18-13(19-20-14)8-11-3-1-2-5-16-11/h1-7H,8-9,15H2.
What are the key properties of [4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
[4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine has a molecular weight of 267.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 114324878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).