N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine

C17H23N3O — CID 122382157

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCOc1c(C)cnc(CN(C)CCc2ccccn2)c1C
InChIInChI=1S/C17H23N3O/c1-13-11-19-16(14(2)17(13)21-4)12-20(3)10-8-15-7-5-6-9-18-15/h5-7,9,11H,8,10,12H2,1-4H3
InChIKeyXLKPRCCPFJHANK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.78
Rot. Bonds6

About N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine (PubChem CID 122382157) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
PubChem CID122382157
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCOc1c(C)cnc(CN(C)CCc2ccccn2)c1C
InChIInChI=1S/C17H23N3O/c1-13-11-19-16(14(2)17(13)21-4)12-20(3)10-8-15-7-5-6-9-18-15/h5-7,9,11H,8,10,12H2,1-4H3
InChIKeyXLKPRCCPFJHANK-UHFFFAOYSA-N
XLogP2.78
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine (CID 122382157) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine is COc1c(C)cnc(CN(C)CCc2ccccn2)c1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
The InChIKey is XLKPRCCPFJHANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-11-19-16(14(2)17(13)21-4)12-20(3)10-8-15-7-5-6-9-18-15/h5-7,9,11H,8,10,12H2,1-4H3.
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 122382157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).