7-(cyclohexanecarbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C18H26N4O2 — CID 136707029

IUPAC7-(cyclohexanecarbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(C1CCCCC1)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1
InChIInChI=1S/C18H26N4O2/c23-16-14-8-11-22(17(24)13-6-2-1-3-7-13)12-15(14)19-18(20-16)21-9-4-5-10-21/h13H,1-12H2,(H,19,20,23)
InChIKeySLXXRWMDILKZAL-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.84
Rot. Bonds2

About 7-(cyclohexanecarbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-(cyclohexanecarbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136707029) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 7-(cyclohexanecarbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(cyclohexanecarbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136707029
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name7-(cyclohexanecarbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(C1CCCCC1)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1
InChIInChI=1S/C18H26N4O2/c23-16-14-8-11-22(17(24)13-6-2-1-3-7-13)12-15(14)19-18(20-16)21-9-4-5-10-21/h13H,1-12H2,(H,19,20,23)
InChIKeySLXXRWMDILKZAL-UHFFFAOYSA-N
XLogP1.84
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexanecarbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(cyclohexanecarbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136707029) is 7-(cyclohexanecarbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(cyclohexanecarbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(cyclohexanecarbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=C(C1CCCCC1)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1.
What is the InChIKey of 7-(cyclohexanecarbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is SLXXRWMDILKZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-16-14-8-11-22(17(24)13-6-2-1-3-7-13)12-15(14)19-18(20-16)21-9-4-5-10-21/h13H,1-12H2,(H,19,20,23).
What are the key properties of 7-(cyclohexanecarbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(cyclohexanecarbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 330.43 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexanecarbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136707029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).