2-N-[2-(dimethylamino)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,5-diamine

C17H24N4O — CID 155515936

IUPAC2-N-[2-(dimethylamino)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,5-diamine
SMILESCOc1ccc(CN(CCN(C)C)c2ccc(N)cn2)cc1
InChIInChI=1S/C17H24N4O/c1-20(2)10-11-21(17-9-6-15(18)12-19-17)13-14-4-7-16(22-3)8-5-14/h4-9,12H,10-11,13,18H2,1-3H3
InChIKeyDJBMWPBTVBJITR-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.24
Rot. Bonds7

About 2-N-[2-(dimethylamino)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,5-diamine

2-N-[2-(dimethylamino)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,5-diamine (PubChem CID 155515936) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,5-diamine
PubChem CID155515936
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-N-[2-(dimethylamino)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,5-diamine
SMILESCOc1ccc(CN(CCN(C)C)c2ccc(N)cn2)cc1
InChIInChI=1S/C17H24N4O/c1-20(2)10-11-21(17-9-6-15(18)12-19-17)13-14-4-7-16(22-3)8-5-14/h4-9,12H,10-11,13,18H2,1-3H3
InChIKeyDJBMWPBTVBJITR-UHFFFAOYSA-N
XLogP2.24
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-[2-(dimethylamino)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,5-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,5-diamine (CID 155515936) is 2-N-[2-(dimethylamino)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,5-diamine is COc1ccc(CN(CCN(C)C)c2ccc(N)cn2)cc1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,5-diamine?
The InChIKey is DJBMWPBTVBJITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-20(2)10-11-21(17-9-6-15(18)12-19-17)13-14-4-7-16(22-3)8-5-14/h4-9,12H,10-11,13,18H2,1-3H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,5-diamine?
2-N-[2-(dimethylamino)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,5-diamine has a molecular weight of 300.41 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 155515936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).