N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine

C17H20N4O — CID 77081890

IUPACN-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine
SMILESCc1cccnc1CC(C)N(C)Cc1cccc2nonc12
InChIInChI=1S/C17H20N4O/c1-12-6-5-9-18-16(12)10-13(2)21(3)11-14-7-4-8-15-17(14)20-22-19-15/h4-9,13H,10-11H2,1-3H3
InChIKeySMWNDMDSQMAZOT-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.99
Rot. Bonds5

About N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine

N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine (PubChem CID 77081890) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine
PubChem CID77081890
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine
SMILESCc1cccnc1CC(C)N(C)Cc1cccc2nonc12
InChIInChI=1S/C17H20N4O/c1-12-6-5-9-18-16(12)10-13(2)21(3)11-14-7-4-8-15-17(14)20-22-19-15/h4-9,13H,10-11H2,1-3H3
InChIKeySMWNDMDSQMAZOT-UHFFFAOYSA-N
XLogP2.99
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-methyl-1-(3-methyl-2-pyridinyl)-N-(quinolin-4-ylmethyl)propan-2-amine
CID 50976505
2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid
CID 95225327
4-fluoro-2-[[methyl-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]phenol
CID 95210782
N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethanamine
CID 77084709
4-methyl-2,1,3-benzoxadiazole;propane
CID 90802808
2-(2,4-dimethoxyphenyl)-N-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]acetamide
CID 135089747
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
N-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide
CID 124850332
3-[[2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetyl]amino]benzoic acid
CID 124848013
2-(2-bromo-5-methylhexyl)-3-methylpyridine
CID 66455289
7-[[methyl-[1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 91843520
4-[3-[2-(3-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]-2,1,3-benzoxadiazole
CID 50973587

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine?
The IUPAC name of N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine (CID 77081890) is N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine?
The canonical SMILES for N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine is Cc1cccnc1CC(C)N(C)Cc1cccc2nonc12.
What is the InChIKey of N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine?
The InChIKey is SMWNDMDSQMAZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-6-5-9-18-16(12)10-13(2)21(3)11-14-7-4-8-15-17(14)20-22-19-15/h4-9,13H,10-11H2,1-3H3.
What are the key properties of N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine?
N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine has a molecular weight of 296.37 g/mol, XLogP of 2.99, 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-4-ylmethyl)-N-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 77081890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).