N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine

C16H21N3O2 — CID 103172673

IUPACN-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
SMILESCCc1cccnc1CNCc1nccc(OC)c1OC
InChIInChI=1S/C16H21N3O2/c1-4-12-6-5-8-18-13(12)10-17-11-14-16(21-3)15(20-2)7-9-19-14/h5-9,17H,4,10-11H2,1-3H3
InChIKeyYCAXARHNZVYUFR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.35
Rot. Bonds7

About N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine

N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine (PubChem CID 103172673) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
PubChem CID103172673
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
SMILESCCc1cccnc1CNCc1nccc(OC)c1OC
InChIInChI=1S/C16H21N3O2/c1-4-12-6-5-8-18-13(12)10-17-11-14-16(21-3)15(20-2)7-9-19-14/h5-9,17H,4,10-11H2,1-3H3
InChIKeyYCAXARHNZVYUFR-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
CID 103172321
1-(2-ethoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733206
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(4-methylphenyl)methanamine
CID 103172192
1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305768
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
CID 103172479
4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-2-methoxybenzonitrile
CID 106787782
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
CID 103172790
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine
CID 103172772
4-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 82747168
N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172115
3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol
CID 103172250

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine?
The IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine (CID 103172673) is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine?
The canonical SMILES for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine is CCc1cccnc1CNCc1nccc(OC)c1OC.
What is the InChIKey of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine?
The InChIKey is YCAXARHNZVYUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-12-6-5-8-18-13(12)10-17-11-14-16(21-3)15(20-2)7-9-19-14/h5-9,17H,4,10-11H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine?
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine has a molecular weight of 287.36 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine is sourced from PubChem (CID 103172673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).