3,6-dimethyl-4-oxo-N-[1-(1-tricyclo[5.3.1.03,9]undecanyl)propan-2-yl]furo[2,3-d]pyrimidine-5-carboxamide

C23H31N3O3 — CID 71034316

IUPAC3,6-dimethyl-4-oxo-N-[1-(1-tricyclo[5.3.1.03,9]undecanyl)propan-2-yl]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)NC(C)CC12CC3CCCC(C1)C(C3)C2
InChIInChI=1S/C23H31N3O3/c1-13(8-23-9-15-5-4-6-16(10-23)17(7-15)11-23)25-20(27)18-14(2)29-21-19(18)22(28)26(3)12-24-21/h12-13,15-17H,4-11H2,1-3H3,(H,25,27)
InChIKeyWJXFYSCGLWJASC-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.95
Rot. Bonds4

About 3,6-dimethyl-4-oxo-N-[1-(1-tricyclo[5.3.1.03,9]undecanyl)propan-2-yl]furo[2,3-d]pyrimidine-5-carboxamide

3,6-dimethyl-4-oxo-N-[1-(1-tricyclo[5.3.1.03,9]undecanyl)propan-2-yl]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 71034316) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3,6-dimethyl-4-oxo-N-[1-(1-tricyclo[5.3.1.03,9]undecanyl)propan-2-yl]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-4-oxo-N-[1-(1-tricyclo[5.3.1.03,9]undecanyl)propan-2-yl]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID71034316
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name3,6-dimethyl-4-oxo-N-[1-(1-tricyclo[5.3.1.03,9]undecanyl)propan-2-yl]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)NC(C)CC12CC3CCCC(C1)C(C3)C2
InChIInChI=1S/C23H31N3O3/c1-13(8-23-9-15-5-4-6-16(10-23)17(7-15)11-23)25-20(27)18-14(2)29-21-19(18)22(28)26(3)12-24-21/h12-13,15-17H,4-11H2,1-3H3,(H,25,27)
InChIKeyWJXFYSCGLWJASC-UHFFFAOYSA-N
XLogP3.95
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-oxo-N-[1-(1-tricyclo[5.3.1.03,9]undecanyl)propan-2-yl]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 3,6-dimethyl-4-oxo-N-[1-(1-tricyclo[5.3.1.03,9]undecanyl)propan-2-yl]furo[2,3-d]pyrimidine-5-carboxamide (CID 71034316) is 3,6-dimethyl-4-oxo-N-[1-(1-tricyclo[5.3.1.03,9]undecanyl)propan-2-yl]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 3,6-dimethyl-4-oxo-N-[1-(1-tricyclo[5.3.1.03,9]undecanyl)propan-2-yl]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 3,6-dimethyl-4-oxo-N-[1-(1-tricyclo[5.3.1.03,9]undecanyl)propan-2-yl]furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncn(C)c(=O)c2c1C(=O)NC(C)CC12CC3CCCC(C1)C(C3)C2.
What is the InChIKey of 3,6-dimethyl-4-oxo-N-[1-(1-tricyclo[5.3.1.03,9]undecanyl)propan-2-yl]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is WJXFYSCGLWJASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-13(8-23-9-15-5-4-6-16(10-23)17(7-15)11-23)25-20(27)18-14(2)29-21-19(18)22(28)26(3)12-24-21/h12-13,15-17H,4-11H2,1-3H3,(H,25,27).
What are the key properties of 3,6-dimethyl-4-oxo-N-[1-(1-tricyclo[5.3.1.03,9]undecanyl)propan-2-yl]furo[2,3-d]pyrimidine-5-carboxamide?
3,6-dimethyl-4-oxo-N-[1-(1-tricyclo[5.3.1.03,9]undecanyl)propan-2-yl]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-oxo-N-[1-(1-tricyclo[5.3.1.03,9]undecanyl)propan-2-yl]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 71034316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).