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

C11H14N4O — CID 114699523

IUPACN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
SMILESCc1cnccc1CNCc1nonc1C
InChIInChI=1S/C11H14N4O/c1-8-5-12-4-3-10(8)6-13-7-11-9(2)14-16-15-11/h3-5,13H,6-7H2,1-2H3
InChIKeyBSUIIWHWIZBPRB-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.37
Rot. Bonds4

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

N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine (PubChem CID 114699523) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
PubChem CID114699523
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
SMILESCc1cnccc1CNCc1nonc1C
InChIInChI=1S/C11H14N4O/c1-8-5-12-4-3-10(8)6-13-7-11-9(2)14-16-15-11/h3-5,13H,6-7H2,1-2H3
InChIKeyBSUIIWHWIZBPRB-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 114698730
N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698965
2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114699562
N-[(4-bromothiophen-2-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698668
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 81170570
N,N-dimethyl-2-[(3-methyl-4-pyridinyl)methylamino]acetamide
CID 114699849
1-(3-methyl-4-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 114699720
N-[(3-methyl-4-pyridinyl)methyl]-2-propoxyethanamine
CID 106452631
(E)-4-chloro-N-[(3-methyl-4-pyridinyl)methyl]but-2-en-1-amine
CID 114699496
1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698678
1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698750

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine?
The IUPAC name of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine (CID 114699523) is N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine.
What is the SMILES notation for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine?
The canonical SMILES for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine is Cc1cnccc1CNCc1nonc1C.
What is the InChIKey of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine?
The InChIKey is BSUIIWHWIZBPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-5-12-4-3-10(8)6-13-7-11-9(2)14-16-15-11/h3-5,13H,6-7H2,1-2H3.
What are the key properties of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine?
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine has a molecular weight of 218.26 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine is sourced from PubChem (CID 114699523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).