7-methyl-2-[4-(4-methylthiophen-3-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one

C18H21N3OS — CID 78137015

IUPAC7-methyl-2-[4-(4-methylthiophen-3-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
SMILESCc1cscc1-c1ccnc(C2CCC3(CCN(C)C3=O)N2)c1
InChIInChI=1S/C18H21N3OS/c1-12-10-23-11-14(12)13-4-7-19-16(9-13)15-3-5-18(20-15)6-8-21(2)17(18)22/h4,7,9-11,15,20H,3,5-6,8H2,1-2H3
InChIKeyWDJHWWOGGUBDFR-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.14
Rot. Bonds2

About 7-methyl-2-[4-(4-methylthiophen-3-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one

7-methyl-2-[4-(4-methylthiophen-3-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 78137015) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 7-methyl-2-[4-(4-methylthiophen-3-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name7-methyl-2-[4-(4-methylthiophen-3-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID78137015
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name7-methyl-2-[4-(4-methylthiophen-3-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
SMILESCc1cscc1-c1ccnc(C2CCC3(CCN(C)C3=O)N2)c1
InChIInChI=1S/C18H21N3OS/c1-12-10-23-11-14(12)13-4-7-19-16(9-13)15-3-5-18(20-15)6-8-21(2)17(18)22/h4,7,9-11,15,20H,3,5-6,8H2,1-2H3
InChIKeyWDJHWWOGGUBDFR-UHFFFAOYSA-N
XLogP3.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[4-(4-methylthiophen-3-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of 7-methyl-2-[4-(4-methylthiophen-3-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one (CID 78137015) is 7-methyl-2-[4-(4-methylthiophen-3-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for 7-methyl-2-[4-(4-methylthiophen-3-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for 7-methyl-2-[4-(4-methylthiophen-3-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one is Cc1cscc1-c1ccnc(C2CCC3(CCN(C)C3=O)N2)c1.
What is the InChIKey of 7-methyl-2-[4-(4-methylthiophen-3-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is WDJHWWOGGUBDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-12-10-23-11-14(12)13-4-7-19-16(9-13)15-3-5-18(20-15)6-8-21(2)17(18)22/h4,7,9-11,15,20H,3,5-6,8H2,1-2H3.
What are the key properties of 7-methyl-2-[4-(4-methylthiophen-3-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one?
7-methyl-2-[4-(4-methylthiophen-3-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 327.45 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[4-(4-methylthiophen-3-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 78137015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).