1-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-3-N-hydroxycyclohexa-3,5-diene-1,3-dicarboxamide

C24H26Cl2N6O3 — CID 175945624

IUPAC1-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-3-N-hydroxycyclohexa-3,5-diene-1,3-dicarboxamide
SMILESCC1(C2(C(N)=O)C=CC=C(C(=O)NO)C2)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1
InChIInChI=1S/C24H26Cl2N6O3/c1-23(24(22(28)34)7-3-4-14(12-24)21(33)31-35)8-10-32(11-9-23)17-13-29-19(20(27)30-17)15-5-2-6-16(25)18(15)26/h2-7,13,35H,8-12H2,1H3,(H2,27,30)(H2,28,34)(H,31,33)
InChIKeyDLXWDFGDTCFGSP-UHFFFAOYSA-N
MW517.42 g/mol
LogP3.50
Rot. Bonds5

About 1-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-3-N-hydroxycyclohexa-3,5-diene-1,3-dicarboxamide

1-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-3-N-hydroxycyclohexa-3,5-diene-1,3-dicarboxamide (PubChem CID 175945624) has the molecular formula C24H26Cl2N6O3 and a molecular weight of 517.42 g/mol. Its IUPAC name is 1-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-3-N-hydroxycyclohexa-3,5-diene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-3-N-hydroxycyclohexa-3,5-diene-1,3-dicarboxamide
PubChem CID175945624
Molecular FormulaC24H26Cl2N6O3
Molecular Weight517.42 g/mol
Exact Mass516.14
IUPAC Name1-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-3-N-hydroxycyclohexa-3,5-diene-1,3-dicarboxamide
SMILESCC1(C2(C(N)=O)C=CC=C(C(=O)NO)C2)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1
InChIInChI=1S/C24H26Cl2N6O3/c1-23(24(22(28)34)7-3-4-14(12-24)21(33)31-35)8-10-32(11-9-23)17-13-29-19(20(27)30-17)15-5-2-6-16(25)18(15)26/h2-7,13,35H,8-12H2,1H3,(H2,27,30)(H2,28,34)(H,31,33)
InChIKeyDLXWDFGDTCFGSP-UHFFFAOYSA-N
XLogP3.50
TPSA147.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.42
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine
CID 167296773
(3R)-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4,4-dimethylpiperidin-3-ol
CID 161181664
6-(4,9-diazadispiro[2.1.25.33]decan-9-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 163880923
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
8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-1,1-dioxo-1λ6-thia-8-azaspiro[4.5]decan-4-amine
CID 118247736
6-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 118249470
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
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
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
(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-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 160542934

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-3-N-hydroxycyclohexa-3,5-diene-1,3-dicarboxamide?
The IUPAC name of 1-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-3-N-hydroxycyclohexa-3,5-diene-1,3-dicarboxamide (CID 175945624) is 1-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-3-N-hydroxycyclohexa-3,5-diene-1,3-dicarboxamide.
What is the SMILES notation for 1-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-3-N-hydroxycyclohexa-3,5-diene-1,3-dicarboxamide?
The canonical SMILES for 1-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-3-N-hydroxycyclohexa-3,5-diene-1,3-dicarboxamide is CC1(C2(C(N)=O)C=CC=C(C(=O)NO)C2)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1.
What is the InChIKey of 1-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-3-N-hydroxycyclohexa-3,5-diene-1,3-dicarboxamide?
The InChIKey is DLXWDFGDTCFGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N6O3/c1-23(24(22(28)34)7-3-4-14(12-24)21(33)31-35)8-10-32(11-9-23)17-13-29-19(20(27)30-17)15-5-2-6-16(25)18(15)26/h2-7,13,35H,8-12H2,1H3,(H2,27,30)(H2,28,34)(H,31,33).
What are the key properties of 1-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-3-N-hydroxycyclohexa-3,5-diene-1,3-dicarboxamide?
1-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-3-N-hydroxycyclohexa-3,5-diene-1,3-dicarboxamide has a molecular weight of 517.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-3-N-hydroxycyclohexa-3,5-diene-1,3-dicarboxamide is sourced from PubChem (CID 175945624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).