5-amino-3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazine-2-carboxamide

C17H20Cl2N6O — CID 118249393

IUPAC5-amino-3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazine-2-carboxamide
SMILESCC1(N)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)nc2C(N)=O)CC1
InChIInChI=1S/C17H20Cl2N6O/c1-17(22)5-7-25(8-6-17)16-13(15(21)26)23-12(14(20)24-16)9-3-2-4-10(18)11(9)19/h2-4H,5-8,22H2,1H3,(H2,20,24)(H2,21,26)
InChIKeyYJQLCAKRDGMFAK-UHFFFAOYSA-N
MW395.29 g/mol
LogP2.45
Rot. Bonds3

About 5-amino-3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazine-2-carboxamide

5-amino-3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazine-2-carboxamide (PubChem CID 118249393) has the molecular formula C17H20Cl2N6O and a molecular weight of 395.29 g/mol. Its IUPAC name is 5-amino-3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazine-2-carboxamide
PubChem CID118249393
Molecular FormulaC17H20Cl2N6O
Molecular Weight395.29 g/mol
Exact Mass394.11
IUPAC Name5-amino-3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazine-2-carboxamide
SMILESCC1(N)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)nc2C(N)=O)CC1
InChIInChI=1S/C17H20Cl2N6O/c1-17(22)5-7-25(8-6-17)16-13(15(21)26)23-12(14(20)24-16)9-3-2-4-10(18)11(9)19/h2-4H,5-8,22H2,1H3,(H2,20,24)(H2,21,26)
InChIKeyYJQLCAKRDGMFAK-UHFFFAOYSA-N
XLogP2.45
TPSA124.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-amino-3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazine-2-carboxamide (CID 118249393) is 5-amino-3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazine-2-carboxamide is CC1(N)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)nc2C(N)=O)CC1.
What is the InChIKey of 5-amino-3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazine-2-carboxamide?
The InChIKey is YJQLCAKRDGMFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N6O/c1-17(22)5-7-25(8-6-17)16-13(15(21)26)23-12(14(20)24-16)9-3-2-4-10(18)11(9)19/h2-4H,5-8,22H2,1H3,(H2,20,24)(H2,21,26).
What are the key properties of 5-amino-3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazine-2-carboxamide?
5-amino-3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazine-2-carboxamide has a molecular weight of 395.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 118249393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).