N-(3-ethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-3-amine

C20H28N4O — CID 67921579

IUPACN-(3-ethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-3-amine
SMILESCCc1cccc(Nc2cccnc2N2CCN(CCOC)CC2)c1
InChIInChI=1S/C20H28N4O/c1-3-17-6-4-7-18(16-17)22-19-8-5-9-21-20(19)24-12-10-23(11-13-24)14-15-25-2/h4-9,16,22H,3,10-15H2,1-2H3
InChIKeyYFSSRPNJZGKWCV-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.16
Rot. Bonds7

About N-(3-ethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-3-amine

N-(3-ethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-3-amine (PubChem CID 67921579) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-3-amine
PubChem CID67921579
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(3-ethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-3-amine
SMILESCCc1cccc(Nc2cccnc2N2CCN(CCOC)CC2)c1
InChIInChI=1S/C20H28N4O/c1-3-17-6-4-7-18(16-17)22-19-8-5-9-21-20(19)24-12-10-23(11-13-24)14-15-25-2/h4-9,16,22H,3,10-15H2,1-2H3
InChIKeyYFSSRPNJZGKWCV-UHFFFAOYSA-N
XLogP3.16
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-ethylphenyl)-2-[4-(2-methoxyethyl)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-(3-ethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of N-(3-ethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-3-amine (CID 67921579) is N-(3-ethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for N-(3-ethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for N-(3-ethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-3-amine is CCc1cccc(Nc2cccnc2N2CCN(CCOC)CC2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is YFSSRPNJZGKWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-3-17-6-4-7-18(16-17)22-19-8-5-9-21-20(19)24-12-10-23(11-13-24)14-15-25-2/h4-9,16,22H,3,10-15H2,1-2H3.
What are the key properties of N-(3-ethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-3-amine?
N-(3-ethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 340.47 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 67921579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).