(1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine

C15H16N4O — CID 95144676

IUPAC(1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine
SMILESC[C@@H](c1ccccn1)N(C)Cc1ccc2nonc2c1
InChIInChI=1S/C15H16N4O/c1-11(13-5-3-4-8-16-13)19(2)10-12-6-7-14-15(9-12)18-20-17-14/h3-9,11H,10H2,1-2H3/t11-/m0/s1
InChIKeyLXORQAOOIVKMME-NSHDSACASA-N
MW268.32 g/mol
LogP2.81
Rot. Bonds4

About (1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine

(1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine (PubChem CID 95144676) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is (1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine
PubChem CID95144676
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name(1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine
SMILESC[C@@H](c1ccccn1)N(C)Cc1ccc2nonc2c1
InChIInChI=1S/C15H16N4O/c1-11(13-5-3-4-8-16-13)19(2)10-12-6-7-14-15(9-12)18-20-17-14/h3-9,11H,10H2,1-2H3/t11-/m0/s1
InChIKeyLXORQAOOIVKMME-NSHDSACASA-N
XLogP2.81
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 75417275
(1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 97314250
methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate
CID 56713563
(1S)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methyl-1-pyridin-2-ylethanamine
CID 97262096
N-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine
CID 50983050
(2R)-2-[2,1,3-benzoxadiazol-5-ylmethyl(methyl)amino]-N-methylpropanamide
CID 124751778
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 56714057
(1R)-N-methyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
CID 95120319
(1S)-N-methyl-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 97328803
1-(2,1,3-benzoxadiazol-5-yl)-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
CID 135096520
(1R)-N-[(1-ethenylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine
CID 99841792
N-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide
CID 95224048

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine (CID 95144676) is (1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine is C[C@@H](c1ccccn1)N(C)Cc1ccc2nonc2c1.
What is the InChIKey of (1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine?
The InChIKey is LXORQAOOIVKMME-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N4O/c1-11(13-5-3-4-8-16-13)19(2)10-12-6-7-14-15(9-12)18-20-17-14/h3-9,11H,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine?
(1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine has a molecular weight of 268.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine is sourced from PubChem (CID 95144676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).