[6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine

C14H13N5O — CID 81099704

IUPAC[6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
SMILESCc1cccnc1-c1noc(-c2ccc(CN)cn2)n1
InChIInChI=1S/C14H13N5O/c1-9-3-2-6-16-12(9)13-18-14(20-19-13)11-5-4-10(7-15)8-17-11/h2-6,8H,7,15H2,1H3
InChIKeySRVAPROIUXAULO-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.96
Rot. Bonds3

About [6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine

[6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine (PubChem CID 81099704) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is [6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
PubChem CID81099704
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name[6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
SMILESCc1cccnc1-c1noc(-c2ccc(CN)cn2)n1
InChIInChI=1S/C14H13N5O/c1-9-3-2-6-16-12(9)13-18-14(20-19-13)11-5-4-10(7-15)8-17-11/h2-6,8H,7,15H2,1H3
InChIKeySRVAPROIUXAULO-UHFFFAOYSA-N
XLogP1.96
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(3-propyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]methanamine
CID 81098785
5-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63259812
5-(3-methyl-2-pyridinyl)-3-[2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
CID 125180484
1-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66375397
[6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81098491
3-methyl-5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 118391610
2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]aniline
CID 62340328
[6-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81100662
[6-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 116703053
[6-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81091119
[6-[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 115385219
N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]pyridin-3-amine
CID 154783031

Frequently Asked Questions

What is the IUPAC name of [6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The IUPAC name of [6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine (CID 81099704) is [6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for [6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The canonical SMILES for [6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine is Cc1cccnc1-c1noc(-c2ccc(CN)cn2)n1.
What is the InChIKey of [6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The InChIKey is SRVAPROIUXAULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-9-3-2-6-16-12(9)13-18-14(20-19-13)11-5-4-10(7-15)8-17-11/h2-6,8H,7,15H2,1H3.
What are the key properties of [6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
[6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine has a molecular weight of 267.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 81099704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).