6-[4-(aminomethyl)-4-pyridin-4-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine

C21H22Cl2N6 — CID 118249266

IUPAC6-[4-(aminomethyl)-4-pyridin-4-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
SMILESNCC1(c2ccncc2)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1
InChIInChI=1S/C21H22Cl2N6/c22-16-3-1-2-15(18(16)23)19-20(25)28-17(12-27-19)29-10-6-21(13-24,7-11-29)14-4-8-26-9-5-14/h1-5,8-9,12H,6-7,10-11,13,24H2,(H2,25,28)
InChIKeyVLQIBVCYDFZCNA-UHFFFAOYSA-N
MW429.36 g/mol
LogP3.92
Rot. Bonds4

About 6-[4-(aminomethyl)-4-pyridin-4-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine

6-[4-(aminomethyl)-4-pyridin-4-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine (PubChem CID 118249266) has the molecular formula C21H22Cl2N6 and a molecular weight of 429.36 g/mol. Its IUPAC name is 6-[4-(aminomethyl)-4-pyridin-4-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[4-(aminomethyl)-4-pyridin-4-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
PubChem CID118249266
Molecular FormulaC21H22Cl2N6
Molecular Weight429.36 g/mol
Exact Mass428.13
IUPAC Name6-[4-(aminomethyl)-4-pyridin-4-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
SMILESNCC1(c2ccncc2)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1
InChIInChI=1S/C21H22Cl2N6/c22-16-3-1-2-15(18(16)23)19-20(25)28-17(12-27-19)29-10-6-21(13-24,7-11-29)14-4-8-26-9-5-14/h1-5,8-9,12H,6-7,10-11,13,24H2,(H2,25,28)
InChIKeyVLQIBVCYDFZCNA-UHFFFAOYSA-N
XLogP3.92
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-(aminomethyl)-4-pyridin-4-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-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 6-[4-(aminomethyl)-4-pyridin-4-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The IUPAC name of 6-[4-(aminomethyl)-4-pyridin-4-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine (CID 118249266) is 6-[4-(aminomethyl)-4-pyridin-4-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine.
What is the SMILES notation for 6-[4-(aminomethyl)-4-pyridin-4-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The canonical SMILES for 6-[4-(aminomethyl)-4-pyridin-4-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine is NCC1(c2ccncc2)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1.
What is the InChIKey of 6-[4-(aminomethyl)-4-pyridin-4-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The InChIKey is VLQIBVCYDFZCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N6/c22-16-3-1-2-15(18(16)23)19-20(25)28-17(12-27-19)29-10-6-21(13-24,7-11-29)14-4-8-26-9-5-14/h1-5,8-9,12H,6-7,10-11,13,24H2,(H2,25,28).
What are the key properties of 6-[4-(aminomethyl)-4-pyridin-4-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
6-[4-(aminomethyl)-4-pyridin-4-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine has a molecular weight of 429.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)-4-pyridin-4-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine is sourced from PubChem (CID 118249266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).