(1S,5S)-N,N-dimethyl-6-(6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

C15H21N5O3 — CID 133127260

IUPAC(1S,5S)-N,N-dimethyl-6-(6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cnc[nH]c1=O)C2
InChIInChI=1S/C15H21N5O3/c1-18(2)15(23)19-6-10-3-4-11(8-19)20(7-10)14(22)12-5-16-9-17-13(12)21/h5,9-11H,3-4,6-8H2,1-2H3,(H,16,17,21)/t10-,11+/m1/s1
InChIKeyPPGDHIFFVPLBQE-MNOVXSKESA-N
MW319.37 g/mol
LogP-0.01
Rot. Bonds1

About (1S,5S)-N,N-dimethyl-6-(6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

(1S,5S)-N,N-dimethyl-6-(6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (PubChem CID 133127260) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is (1S,5S)-N,N-dimethyl-6-(6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,5S)-N,N-dimethyl-6-(6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
PubChem CID133127260
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name(1S,5S)-N,N-dimethyl-6-(6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cnc[nH]c1=O)C2
InChIInChI=1S/C15H21N5O3/c1-18(2)15(23)19-6-10-3-4-11(8-19)20(7-10)14(22)12-5-16-9-17-13(12)21/h5,9-11H,3-4,6-8H2,1-2H3,(H,16,17,21)/t10-,11+/m1/s1
InChIKeyPPGDHIFFVPLBQE-MNOVXSKESA-N
XLogP-0.01
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N,N-dimethyl-6-(6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The IUPAC name of (1S,5S)-N,N-dimethyl-6-(6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (CID 133127260) is (1S,5S)-N,N-dimethyl-6-(6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.
What is the SMILES notation for (1S,5S)-N,N-dimethyl-6-(6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The canonical SMILES for (1S,5S)-N,N-dimethyl-6-(6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cnc[nH]c1=O)C2.
What is the InChIKey of (1S,5S)-N,N-dimethyl-6-(6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The InChIKey is PPGDHIFFVPLBQE-MNOVXSKESA-N. The full InChI is InChI=1S/C15H21N5O3/c1-18(2)15(23)19-6-10-3-4-11(8-19)20(7-10)14(22)12-5-16-9-17-13(12)21/h5,9-11H,3-4,6-8H2,1-2H3,(H,16,17,21)/t10-,11+/m1/s1.
What are the key properties of (1S,5S)-N,N-dimethyl-6-(6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
(1S,5S)-N,N-dimethyl-6-(6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide has a molecular weight of 319.37 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N,N-dimethyl-6-(6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is sourced from PubChem (CID 133127260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).