(1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-2-ylethanamine

C11H14N4O — CID 81401851

IUPAC(1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCc1nonc1CN[C@H](C)c1ccccn1
InChIInChI=1S/C11H14N4O/c1-8(10-5-3-4-6-12-10)13-7-11-9(2)14-16-15-11/h3-6,8,13H,7H2,1-2H3/t8-/m1/s1
InChIKeyVNVQUQZFBGSNBF-MRVPVSSYSA-N
MW218.26 g/mol
LogP1.62
Rot. Bonds4

About (1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-2-ylethanamine

(1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 81401851) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is (1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-2-ylethanamine
PubChem CID81401851
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name(1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCc1nonc1CN[C@H](C)c1ccccn1
InChIInChI=1S/C11H14N4O/c1-8(10-5-3-4-6-12-10)13-7-11-9(2)14-16-15-11/h3-6,8,13H,7H2,1-2H3/t8-/m1/s1
InChIKeyVNVQUQZFBGSNBF-MRVPVSSYSA-N
XLogP1.62
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374522
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
(1S)-1-(2-chlorophenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 81378296
(1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 81404854
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 63280230
1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43181287
N-(1,2-oxazol-5-ylmethyl)-1-pyridin-2-ylethanamine
CID 103605434
(1R)-1-(4-fluorophenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 81348124
(1S)-1-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437978
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 62321588
(1S)-1-(3-bromophenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 81381659

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-2-ylethanamine (CID 81401851) is (1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-2-ylethanamine is Cc1nonc1CN[C@H](C)c1ccccn1.
What is the InChIKey of (1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is VNVQUQZFBGSNBF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8(10-5-3-4-6-12-10)13-7-11-9(2)14-16-15-11/h3-6,8,13H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-2-ylethanamine?
(1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 218.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 81401851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).