N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine

C16H21N3O2 — CID 63984677

IUPACN-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCOc1cccc(CNCc2cccnc2OC(C)C)n1
InChIInChI=1S/C16H21N3O2/c1-12(2)21-16-13(6-5-9-18-16)10-17-11-14-7-4-8-15(19-14)20-3/h4-9,12,17H,10-11H2,1-3H3
InChIKeyMBDHEBLBSIFODX-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.56
Rot. Bonds7

About N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine

N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine (PubChem CID 63984677) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
PubChem CID63984677
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCOc1cccc(CNCc2cccnc2OC(C)C)n1
InChIInChI=1S/C16H21N3O2/c1-12(2)21-16-13(6-5-9-18-16)10-17-11-14-7-4-8-15(19-14)20-3/h4-9,12,17H,10-11H2,1-3H3
InChIKeyMBDHEBLBSIFODX-UHFFFAOYSA-N
XLogP2.56
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine with MolForge

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Related Compounds

4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 115586120
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
N-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 62756157
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 62742368
N-[[2-(methoxymethyl)phenyl]methyl]-1-(6-methoxy-2-pyridinyl)methanamine
CID 63985265
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 62142011
methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
CID 61375172
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 115331555
3-chloro-2-[[(2-propan-2-yloxy-3-pyridinyl)methylamino]methyl]phenol
CID 78959442
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 107911473
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 62747167

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine?
The IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine (CID 63984677) is N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine?
The canonical SMILES for N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine is COc1cccc(CNCc2cccnc2OC(C)C)n1.
What is the InChIKey of N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine?
The InChIKey is MBDHEBLBSIFODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(2)21-16-13(6-5-9-18-16)10-17-11-14-7-4-8-15(19-14)20-3/h4-9,12,17H,10-11H2,1-3H3.
What are the key properties of N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine?
N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine has a molecular weight of 287.36 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 63984677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).