4-amino-1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-N-(oxan-4-yl)piperidine-4-carboxamide

C22H27Cl2N5O2S — CID 134182976

IUPAC4-amino-1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-N-(oxan-4-yl)piperidine-4-carboxamide
SMILESCc1nc(N2CCC(N)(C(=O)NC3CCOCC3)CC2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C22H27Cl2N5O2S/c1-14-20(32-17-4-2-3-16(23)19(17)24)26-13-18(27-14)29-9-7-22(25,8-10-29)21(30)28-15-5-11-31-12-6-15/h2-4,13,15H,5-12,25H2,1H3,(H,28,30)
InChIKeyMYNXAXDDJQHRFU-UHFFFAOYSA-N
MW496.46 g/mol
LogP3.84
Rot. Bonds5

About 4-amino-1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-N-(oxan-4-yl)piperidine-4-carboxamide

4-amino-1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-N-(oxan-4-yl)piperidine-4-carboxamide (PubChem CID 134182976) has the molecular formula C22H27Cl2N5O2S and a molecular weight of 496.46 g/mol. Its IUPAC name is 4-amino-1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-N-(oxan-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-N-(oxan-4-yl)piperidine-4-carboxamide
PubChem CID134182976
Molecular FormulaC22H27Cl2N5O2S
Molecular Weight496.46 g/mol
Exact Mass495.13
IUPAC Name4-amino-1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-N-(oxan-4-yl)piperidine-4-carboxamide
SMILESCc1nc(N2CCC(N)(C(=O)NC3CCOCC3)CC2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C22H27Cl2N5O2S/c1-14-20(32-17-4-2-3-16(23)19(17)24)26-13-18(27-14)29-9-7-22(25,8-10-29)21(30)28-15-5-11-31-12-6-15/h2-4,13,15H,5-12,25H2,1H3,(H,28,30)
InChIKeyMYNXAXDDJQHRFU-UHFFFAOYSA-N
XLogP3.84
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]-N-methylcarbamate
CID 134183133
1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-1,4-diazepane
CID 134182790
(4R)-8-[6-(aminomethyl)-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 134182847
(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-phenylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;methane
CID 159089252
(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 134182942
3-(2,3-dichlorophenyl)sulfanyl-6-[(7S)-7-methyl-2-azaspiro[3.3]heptan-2-yl]pyrazin-2-amine
CID 134401671
1-[3-(2,3-dichlorophenyl)sulfanyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 134473778
1-[5-(2,3-dichlorophenyl)sulfanyl-3-ethyl-6-methylpyrazin-2-yl]piperidine-4,4-diamine
CID 145442767
5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-spiro[3.4]octan-7-ylpyrazin-2-amine
CID 147408586
3-(2,3-dichlorophenyl)sulfanyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carbonitrile
CID 166963314
(7R)-2-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-2-azaspiro[3.3]heptan-7-amine
CID 118247967
tert-butyl N-[1-[5-(2,3-dichlorophenyl)sulfanyl-6-[(4-methoxyphenyl)methoxy]pyrazin-2-yl]-4-methylpiperidin-4-yl]carbamate
CID 138735062

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-N-(oxan-4-yl)piperidine-4-carboxamide?
The IUPAC name of 4-amino-1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-N-(oxan-4-yl)piperidine-4-carboxamide (CID 134182976) is 4-amino-1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-N-(oxan-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-amino-1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-N-(oxan-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-amino-1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-N-(oxan-4-yl)piperidine-4-carboxamide is Cc1nc(N2CCC(N)(C(=O)NC3CCOCC3)CC2)cnc1Sc1cccc(Cl)c1Cl.
What is the InChIKey of 4-amino-1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-N-(oxan-4-yl)piperidine-4-carboxamide?
The InChIKey is MYNXAXDDJQHRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N5O2S/c1-14-20(32-17-4-2-3-16(23)19(17)24)26-13-18(27-14)29-9-7-22(25,8-10-29)21(30)28-15-5-11-31-12-6-15/h2-4,13,15H,5-12,25H2,1H3,(H,28,30).
What are the key properties of 4-amino-1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-N-(oxan-4-yl)piperidine-4-carboxamide?
4-amino-1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-N-(oxan-4-yl)piperidine-4-carboxamide has a molecular weight of 496.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-N-(oxan-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 134182976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).