N,N-dimethyl-2-[(5R,9R)-9-methyl-7-(5-methylpyrimidin-2-yl)-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide

C17H25N5O2 — CID 97471739

IUPACN,N-dimethyl-2-[(5R,9R)-9-methyl-7-(5-methylpyrimidin-2-yl)-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide
SMILESCc1cnc(N2C[C@H](C)[C@]3(CCN(CC(=O)N(C)C)C3=O)C2)nc1
InChIInChI=1S/C17H25N5O2/c1-12-7-18-16(19-8-12)22-9-13(2)17(11-22)5-6-21(15(17)24)10-14(23)20(3)4/h7-8,13H,5-6,9-11H2,1-4H3/t13-,17-/m0/s1
InChIKeyVYYXTRRNCKAGHO-GUYCJALGSA-N
MW331.42 g/mol
LogP0.55
Rot. Bonds3

About N,N-dimethyl-2-[(5R,9R)-9-methyl-7-(5-methylpyrimidin-2-yl)-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide

N,N-dimethyl-2-[(5R,9R)-9-methyl-7-(5-methylpyrimidin-2-yl)-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide (PubChem CID 97471739) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[(5R,9R)-9-methyl-7-(5-methylpyrimidin-2-yl)-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(5R,9R)-9-methyl-7-(5-methylpyrimidin-2-yl)-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide
PubChem CID97471739
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN,N-dimethyl-2-[(5R,9R)-9-methyl-7-(5-methylpyrimidin-2-yl)-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide
SMILESCc1cnc(N2C[C@H](C)[C@]3(CCN(CC(=O)N(C)C)C3=O)C2)nc1
InChIInChI=1S/C17H25N5O2/c1-12-7-18-16(19-8-12)22-9-13(2)17(11-22)5-6-21(15(17)24)10-14(23)20(3)4/h7-8,13H,5-6,9-11H2,1-4H3/t13-,17-/m0/s1
InChIKeyVYYXTRRNCKAGHO-GUYCJALGSA-N
XLogP0.55
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(5R,9R)-9-methyl-7-(5-methylpyrimidin-2-yl)-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(5R,9R)-9-methyl-7-(5-methylpyrimidin-2-yl)-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide (CID 97471739) is N,N-dimethyl-2-[(5R,9R)-9-methyl-7-(5-methylpyrimidin-2-yl)-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(5R,9R)-9-methyl-7-(5-methylpyrimidin-2-yl)-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(5R,9R)-9-methyl-7-(5-methylpyrimidin-2-yl)-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide is Cc1cnc(N2C[C@H](C)[C@]3(CCN(CC(=O)N(C)C)C3=O)C2)nc1.
What is the InChIKey of N,N-dimethyl-2-[(5R,9R)-9-methyl-7-(5-methylpyrimidin-2-yl)-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide?
The InChIKey is VYYXTRRNCKAGHO-GUYCJALGSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12-7-18-16(19-8-12)22-9-13(2)17(11-22)5-6-21(15(17)24)10-14(23)20(3)4/h7-8,13H,5-6,9-11H2,1-4H3/t13-,17-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(5R,9R)-9-methyl-7-(5-methylpyrimidin-2-yl)-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide?
N,N-dimethyl-2-[(5R,9R)-9-methyl-7-(5-methylpyrimidin-2-yl)-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(5R,9R)-9-methyl-7-(5-methylpyrimidin-2-yl)-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide is sourced from PubChem (CID 97471739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).