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

C21H22Cl2N6 — CID 118249470

IUPAC6-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
SMILESNCC1(c2ccccn2)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1
InChIInChI=1S/C21H22Cl2N6/c22-15-5-3-4-14(18(15)23)19-20(25)28-17(12-27-19)29-10-7-21(13-24,8-11-29)16-6-1-2-9-26-16/h1-6,9,12H,7-8,10-11,13,24H2,(H2,25,28)
InChIKeyLMPGLKMICDQUKS-UHFFFAOYSA-N
MW429.36 g/mol
LogP3.92
Rot. Bonds4

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

6-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine (PubChem CID 118249470) has the molecular formula C21H22Cl2N6 and a molecular weight of 429.36 g/mol. Its IUPAC name is 6-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
PubChem CID118249470
Molecular FormulaC21H22Cl2N6
Molecular Weight429.36 g/mol
Exact Mass428.13
IUPAC Name6-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
SMILESNCC1(c2ccccn2)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1
InChIInChI=1S/C21H22Cl2N6/c22-15-5-3-4-14(18(15)23)19-20(25)28-17(12-27-19)29-10-7-21(13-24,8-11-29)16-6-1-2-9-26-16/h1-6,9,12H,7-8,10-11,13,24H2,(H2,25,28)
InChIKeyLMPGLKMICDQUKS-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-2-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

Related Compounds

3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine
CID 167296773
6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 126480959
(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol
CID 91824802
6-(4,9-diazadispiro[2.1.25.33]decan-9-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 163880923
6-[(3aR)-5-(aminomethyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 138466405
(3R)-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4,4-dimethylpiperidin-3-ol
CID 161181664
8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-1,1-dioxo-1λ6-thia-8-azaspiro[4.5]decan-4-amine
CID 118247736
3-(2,3-dichlorophenyl)-6-(5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyrazin-2-amine;methane
CID 142543281
5-bromo-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;5-chloro-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazin-2-amine;6-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine;3-(2,3-dichlorophenyl)-6-(4-ethylpiperidin-1-yl)pyrazin-2-amine
CID 160542933
(1R,2S)-6-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-6-azatricyclo[3.3.0.01,4]octan-2-amine
CID 135294431
6-[(4-amino-4-methylpiperidin-1-yl)methyl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 167432571
3-bromo-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrazin-2-amine;3-(2,3-dichlorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrazin-2-amine
CID 157262934

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The IUPAC name of 6-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine (CID 118249470) is 6-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine.
What is the SMILES notation for 6-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The canonical SMILES for 6-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine is NCC1(c2ccccn2)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1.
What is the InChIKey of 6-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The InChIKey is LMPGLKMICDQUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N6/c22-15-5-3-4-14(18(15)23)19-20(25)28-17(12-27-19)29-10-7-21(13-24,8-11-29)16-6-1-2-9-26-16/h1-6,9,12H,7-8,10-11,13,24H2,(H2,25,28).
What are the key properties of 6-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
6-[4-(aminomethyl)-4-pyridin-2-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-2-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine is sourced from PubChem (CID 118249470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).