6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

C19H23N5O2 — CID 78525046

IUPAC6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
SMILESCC(C)NC(=O)N1CC2CC(C1)c1c(-c3cncnc3)ccc(=O)n1C2
InChIInChI=1S/C19H23N5O2/c1-12(2)22-19(26)23-8-13-5-14(10-23)18-16(15-6-20-11-21-7-15)3-4-17(25)24(18)9-13/h3-4,6-7,11-14H,5,8-10H2,1-2H3,(H,22,26)
InChIKeySEUHZNVIXAAZSO-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.84
Rot. Bonds2

About 6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (PubChem CID 78525046) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

Molecular Properties

Compound Name6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
PubChem CID78525046
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
SMILESCC(C)NC(=O)N1CC2CC(C1)c1c(-c3cncnc3)ccc(=O)n1C2
InChIInChI=1S/C19H23N5O2/c1-12(2)22-19(26)23-8-13-5-14(10-23)18-16(15-6-20-11-21-7-15)3-4-17(25)24(18)9-13/h3-4,6-7,11-14H,5,8-10H2,1-2H3,(H,22,26)
InChIKeySEUHZNVIXAAZSO-UHFFFAOYSA-N
XLogP1.84
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?
The IUPAC name of 6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (CID 78525046) is 6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.
What is the SMILES notation for 6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?
The canonical SMILES for 6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is CC(C)NC(=O)N1CC2CC(C1)c1c(-c3cncnc3)ccc(=O)n1C2.
What is the InChIKey of 6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?
The InChIKey is SEUHZNVIXAAZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12(2)22-19(26)23-8-13-5-14(10-23)18-16(15-6-20-11-21-7-15)3-4-17(25)24(18)9-13/h3-4,6-7,11-14H,5,8-10H2,1-2H3,(H,22,26).
What are the key properties of 6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?
6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is sourced from PubChem (CID 78525046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).