1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]-N-methylethanamine

C15H21N3O — CID 82896153

IUPAC1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]-N-methylethanamine
SMILESCNC(C)c1cccn1Cc1cc(OC)cc(C)n1
InChIInChI=1S/C15H21N3O/c1-11-8-14(19-4)9-13(17-11)10-18-7-5-6-15(18)12(2)16-3/h5-9,12,16H,10H2,1-4H3
InChIKeyYAXAYOPEDDYIHP-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.53
Rot. Bonds5

About 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]-N-methylethanamine

1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]-N-methylethanamine (PubChem CID 82896153) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]-N-methylethanamine
PubChem CID82896153
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]-N-methylethanamine
SMILESCNC(C)c1cccn1Cc1cc(OC)cc(C)n1
InChIInChI=1S/C15H21N3O/c1-11-8-14(19-4)9-13(17-11)10-18-7-5-6-15(18)12(2)16-3/h5-9,12,16H,10H2,1-4H3
InChIKeyYAXAYOPEDDYIHP-UHFFFAOYSA-N
XLogP2.53
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]-N-methylethanamine 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

1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanol
CID 82895318
2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine
CID 82895978
4-methoxy-2-methyl-6-(pyrrol-1-ylmethyl)pyridine
CID 82896081
N-methyl-1-[1-(quinolin-2-ylmethyl)pyrrol-2-yl]ethanamine
CID 79102748
5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole
CID 116619485
N-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine
CID 79102137
N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine
CID 79102152
1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine
CID 82928163
(1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 82886390
1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79101753
1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79101642
N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 82896241

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]-N-methylethanamine (CID 82896153) is 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]-N-methylethanamine is CNC(C)c1cccn1Cc1cc(OC)cc(C)n1.
What is the InChIKey of 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]-N-methylethanamine?
The InChIKey is YAXAYOPEDDYIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-8-14(19-4)9-13(17-11)10-18-7-5-6-15(18)12(2)16-3/h5-9,12,16H,10H2,1-4H3.
What are the key properties of 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]-N-methylethanamine?
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]-N-methylethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]-N-methylethanamine is sourced from PubChem (CID 82896153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).