N',N'-dimethyl-N-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]ethane-1,2-diamine

C22H23N7O — CID 91184902

IUPACN',N'-dimethyl-N-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]ethane-1,2-diamine
SMILESCc1ncc(-c2ccnc(NCCN(C)C)c2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H23N7O/c1-15-20(22-28-27-21(30-22)16-7-5-4-6-8-16)26-18(14-25-15)17-9-10-23-19(13-17)24-11-12-29(2)3/h4-10,13-14H,11-12H2,1-3H3,(H,23,24)
InChIKeyWLJQFTYMLXRUQJ-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.54
Rot. Bonds7

About N',N'-dimethyl-N-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]ethane-1,2-diamine

N',N'-dimethyl-N-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]ethane-1,2-diamine (PubChem CID 91184902) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is N',N'-dimethyl-N-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]ethane-1,2-diamine
PubChem CID91184902
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC NameN',N'-dimethyl-N-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]ethane-1,2-diamine
SMILESCc1ncc(-c2ccnc(NCCN(C)C)c2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H23N7O/c1-15-20(22-28-27-21(30-22)16-7-5-4-6-8-16)26-18(14-25-15)17-9-10-23-19(13-17)24-11-12-29(2)3/h4-10,13-14H,11-12H2,1-3H3,(H,23,24)
InChIKeyWLJQFTYMLXRUQJ-UHFFFAOYSA-N
XLogP3.54
TPSA92.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]ethane-1,2-diamine (CID 91184902) is N',N'-dimethyl-N-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]ethane-1,2-diamine is Cc1ncc(-c2ccnc(NCCN(C)C)c2)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of N',N'-dimethyl-N-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is WLJQFTYMLXRUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-15-20(22-28-27-21(30-22)16-7-5-4-6-8-16)26-18(14-25-15)17-9-10-23-19(13-17)24-11-12-29(2)3/h4-10,13-14H,11-12H2,1-3H3,(H,23,24).
What are the key properties of N',N'-dimethyl-N-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 401.47 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 91184902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).