N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine

C19H26N4O — CID 15953887

IUPACN-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine
SMILESCCNc1cccnc1N1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C19H26N4O/c1-3-20-18-5-4-10-21-19(18)23-13-11-22(12-14-23)15-16-6-8-17(24-2)9-7-16/h4-10,20H,3,11-15H2,1-2H3
InChIKeyBNDLDBQZWUWSHU-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.84
Rot. Bonds6

About N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine

N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine (PubChem CID 15953887) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine
PubChem CID15953887
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine
SMILESCCNc1cccnc1N1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C19H26N4O/c1-3-20-18-5-4-10-21-19(18)23-13-11-22(12-14-23)15-16-6-8-17(24-2)9-7-16/h4-10,20H,3,11-15H2,1-2H3
InChIKeyBNDLDBQZWUWSHU-UHFFFAOYSA-N
XLogP2.84
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine 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 N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine?
The IUPAC name of N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine (CID 15953887) is N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine is CCNc1cccnc1N1CCN(Cc2ccc(OC)cc2)CC1.
What is the InChIKey of N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine?
The InChIKey is BNDLDBQZWUWSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-20-18-5-4-10-21-19(18)23-13-11-22(12-14-23)15-16-6-8-17(24-2)9-7-16/h4-10,20H,3,11-15H2,1-2H3.
What are the key properties of N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine?
N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine has a molecular weight of 326.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 15953887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).