N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-3-ylpropan-1-amine

C16H18N4O — CID 56714057

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-3-ylpropan-1-amine
SMILESCCC(c1cccnc1)N(C)Cc1ccc2nonc2c1
InChIInChI=1S/C16H18N4O/c1-3-16(13-5-4-8-17-10-13)20(2)11-12-6-7-14-15(9-12)19-21-18-14/h4-10,16H,3,11H2,1-2H3
InChIKeyZKSUFQVTJRBUCO-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.20
Rot. Bonds5

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-3-ylpropan-1-amine

N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-3-ylpropan-1-amine (PubChem CID 56714057) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-3-ylpropan-1-amine
PubChem CID56714057
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-3-ylpropan-1-amine
SMILESCCC(c1cccnc1)N(C)Cc1ccc2nonc2c1
InChIInChI=1S/C16H18N4O/c1-3-16(13-5-4-8-17-10-13)20(2)11-12-6-7-14-15(9-12)19-21-18-14/h4-10,16H,3,11H2,1-2H3
InChIKeyZKSUFQVTJRBUCO-UHFFFAOYSA-N
XLogP3.20
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 95121332
(1R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-3-ylpropan-1-amine
CID 95131581
N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine
CID 43211751
(1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine
CID 95144676
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine
CID 61413578
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 91762097
5-(hydroxymethyl)-2-methyl-4-[[methyl-[(1R)-1-pyridin-3-ylpropyl]amino]methyl]pyridin-3-ol
CID 95230670
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 74233605
2-(dimethylamino)-2-pyridin-3-ylethanol
CID 54775729
2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 43563291
N-methyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 143947974

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-3-ylpropan-1-amine?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-3-ylpropan-1-amine (CID 56714057) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-3-ylpropan-1-amine?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-3-ylpropan-1-amine is CCC(c1cccnc1)N(C)Cc1ccc2nonc2c1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-3-ylpropan-1-amine?
The InChIKey is ZKSUFQVTJRBUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-16(13-5-4-8-17-10-13)20(2)11-12-6-7-14-15(9-12)19-21-18-14/h4-10,16H,3,11H2,1-2H3.
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-3-ylpropan-1-amine?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-3-ylpropan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 56714057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).