(1R,5R)-N,N-dimethyl-6-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

C19H23N5O3 — CID 72901630

IUPAC(1R,5R)-N,N-dimethyl-6-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cnc3ccccn3c1=O)C2
InChIInChI=1S/C19H23N5O3/c1-21(2)19(27)22-10-13-6-7-14(12-22)24(11-13)18(26)15-9-20-16-5-3-4-8-23(16)17(15)25/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3/t13-,14+/m0/s1
InChIKeyXQUNOJHMKQKCTI-UONOGXRCSA-N
MW369.43 g/mol
LogP0.91
Rot. Bonds1

About (1R,5R)-N,N-dimethyl-6-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

(1R,5R)-N,N-dimethyl-6-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (PubChem CID 72901630) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (1R,5R)-N,N-dimethyl-6-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,5R)-N,N-dimethyl-6-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
PubChem CID72901630
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name(1R,5R)-N,N-dimethyl-6-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cnc3ccccn3c1=O)C2
InChIInChI=1S/C19H23N5O3/c1-21(2)19(27)22-10-13-6-7-14(12-22)24(11-13)18(26)15-9-20-16-5-3-4-8-23(16)17(15)25/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3/t13-,14+/m0/s1
InChIKeyXQUNOJHMKQKCTI-UONOGXRCSA-N
XLogP0.91
TPSA78.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,5R)-N,N-dimethyl-6-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide with MolForge

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Related Compounds

3-{[(3S)-3-(dimethylamino)azepan-1-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 70711071
2-methyl-5-{[(1R*,5R*)-6-(3-methyl-2-buten-1-yl)-3,6-diazabicyclo[3.2.2]non-3-yl]carbonyl}-4(3H)-pyrimidinone
CID 133135321
3-(2-Propan-2-ylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 60321271
2-methyl-5-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-pyrimidin-6-one
CID 70719911
6-methyl-3-{[(1S*,5R*)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]non-3-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 70731766
3-{[(1R*,5R*)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]non-3-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 70771408
2-{[(1S*,5R*)-6-(3-methyl-2-buten-1-yl)-7-oxo-3,6-diazabicyclo[3.2.2]non-3-yl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 70784417
3-{[(1S*,5R*)-6-(3-methylbut-2-en-1-yl)-7-oxo-3,6-diazabicyclo[3.2.2]non-3-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 72880280
3-{[(1S*,5R*)-3-(tetrahydro-2H-pyran-4-yl)-3,6-diazabicyclo[3.2.2]non-6-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 72895969
3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 72896801
3-{[(1S*,5R*)-3-acetyl-3,6-diazabicyclo[3.2.2]non-6-yl]carbonyl}-9-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 72896897
3-{[(1R*,5R*)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]non-3-yl]carbonyl}-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 72899743

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N,N-dimethyl-6-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The IUPAC name of (1R,5R)-N,N-dimethyl-6-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (CID 72901630) is (1R,5R)-N,N-dimethyl-6-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.
What is the SMILES notation for (1R,5R)-N,N-dimethyl-6-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The canonical SMILES for (1R,5R)-N,N-dimethyl-6-(4-oxopyrido[1,2-a]pyrimidine-3-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)c1cnc3ccccn3c1=O)C2.
What is the InChIKey of (1R,5R)-N,N-dimethyl-6-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The InChIKey is XQUNOJHMKQKCTI-UONOGXRCSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-21(2)19(27)22-10-13-6-7-14(12-22)24(11-13)18(26)15-9-20-16-5-3-4-8-23(16)17(15)25/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (1R,5R)-N,N-dimethyl-6-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
(1R,5R)-N,N-dimethyl-6-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-N,N-dimethyl-6-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is sourced from PubChem (CID 72901630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).