(1R,5R)-N,N-dimethyl-6-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

C17H25N5O4 — CID 72896948

IUPAC(1R,5R)-N,N-dimethyl-6-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1c[nH]c(=O)n(C)c1=O)C2
InChIInChI=1S/C17H25N5O4/c1-19(2)17(26)21-8-11-4-5-13(10-21)22(9-11)14(23)6-12-7-18-16(25)20(3)15(12)24/h7,11,13H,4-6,8-10H2,1-3H3,(H,18,25)/t11-,13+/m0/s1
InChIKeyODAHCBPIVOOVCK-WCQYABFASA-N
MW363.42 g/mol
LogP-0.78
Rot. Bonds2

About (1R,5R)-N,N-dimethyl-6-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

(1R,5R)-N,N-dimethyl-6-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (PubChem CID 72896948) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is (1R,5R)-N,N-dimethyl-6-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,5R)-N,N-dimethyl-6-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
PubChem CID72896948
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name(1R,5R)-N,N-dimethyl-6-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1c[nH]c(=O)n(C)c1=O)C2
InChIInChI=1S/C17H25N5O4/c1-19(2)17(26)21-8-11-4-5-13(10-21)22(9-11)14(23)6-12-7-18-16(25)20(3)15(12)24/h7,11,13H,4-6,8-10H2,1-3H3,(H,18,25)/t11-,13+/m0/s1
InChIKeyODAHCBPIVOOVCK-WCQYABFASA-N
XLogP-0.78
TPSA98.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,5R)-N,N-dimethyl-6-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide with MolForge

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Related Compounds

5-{2-[4-(cyclopropylmethyl)-3-isopropyl-5-oxo-1,4-diazepan-1-yl]-2-oxoethyl}-2,4(1H,3H)-pyrimidinedione
CID 56864101
5-[2-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione;methane
CID 161946739
5-[2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodec-11-yl)-2-oxoethyl]pyrimidine-2,4(1H,3H)-dione
CID 56742503
3-methyl-5-[2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 56753580
5-{2-[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]-2-oxoethyl}-3-methylpyrimidine-2,4(1H,3H)-dione
CID 56862994
5-[2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 56869843
N-{(1S*,2R*)-2-[(1-acetyl-4-piperidinyl)amino]cyclobutyl}-2-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetamide
CID 56897265
3-methyl-5-{2-[(1R*,5R*)-3-(methylsulfonyl)-3,6-diazabicyclo[3.2.2]non-6-yl]-2-oxoethyl}-2,4(1H,3H)-pyrimidinedione
CID 70720624
1-methyl-5-{[(1S*,5R*)-6-(3-methyl-2-buten-1-yl)-7-oxo-3,6-diazabicyclo[3.2.2]non-3-yl]carbonyl}-2,4(1H,3H)-pyrimidinedione
CID 70725866
1-methyl-5-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrimidine-2,4-dione
CID 70739590
1-{2-[(1S*,5R*)-6-(cyclopropylmethyl)-7-oxo-3,6-diazabicyclo[3.2.2]non-3-yl]-2-oxoethyl}-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 70745133
3-methyl-5-{2-oxo-2-[(1S*,5R*)-3-(tetrahydro-2H-pyran-4-yl)-3,6-diazabicyclo[3.2.2]non-6-yl]ethyl}-2,4(1H,3H)-pyrimidinedione
CID 70761335

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N,N-dimethyl-6-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The IUPAC name of (1R,5R)-N,N-dimethyl-6-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (CID 72896948) is (1R,5R)-N,N-dimethyl-6-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.
What is the SMILES notation for (1R,5R)-N,N-dimethyl-6-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The canonical SMILES for (1R,5R)-N,N-dimethyl-6-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1c[nH]c(=O)n(C)c1=O)C2.
What is the InChIKey of (1R,5R)-N,N-dimethyl-6-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The InChIKey is ODAHCBPIVOOVCK-WCQYABFASA-N. The full InChI is InChI=1S/C17H25N5O4/c1-19(2)17(26)21-8-11-4-5-13(10-21)22(9-11)14(23)6-12-7-18-16(25)20(3)15(12)24/h7,11,13H,4-6,8-10H2,1-3H3,(H,18,25)/t11-,13+/m0/s1.
What are the key properties of (1R,5R)-N,N-dimethyl-6-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
(1R,5R)-N,N-dimethyl-6-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of -0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-N,N-dimethyl-6-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is sourced from PubChem (CID 72896948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).