N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide

C16H22N4O3 — CID 22402378

IUPACN-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCn1c(N)c(NC(=O)C23CC4CC(CC2C4)C3)c(=O)n(C)c1=O
InChIInChI=1S/C16H22N4O3/c1-19-12(17)11(13(21)20(2)15(19)23)18-14(22)16-6-8-3-9(7-16)5-10(16)4-8/h8-10H,3-7,17H2,1-2H3,(H,18,22)
InChIKeyHRKYPZHNVOGTLG-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.43
Rot. Bonds2

About N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide

N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 22402378) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID22402378
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCn1c(N)c(NC(=O)C23CC4CC(CC2C4)C3)c(=O)n(C)c1=O
InChIInChI=1S/C16H22N4O3/c1-19-12(17)11(13(21)20(2)15(19)23)18-14(22)16-6-8-3-9(7-16)5-10(16)4-8/h8-10H,3-7,17H2,1-2H3,(H,18,22)
InChIKeyHRKYPZHNVOGTLG-UHFFFAOYSA-N
XLogP0.43
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 22402378) is N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide is Cn1c(N)c(NC(=O)C23CC4CC(CC2C4)C3)c(=O)n(C)c1=O.
What is the InChIKey of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is HRKYPZHNVOGTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-19-12(17)11(13(21)20(2)15(19)23)18-14(22)16-6-8-3-9(7-16)5-10(16)4-8/h8-10H,3-7,17H2,1-2H3,(H,18,22).
What are the key properties of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 22402378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).