(5S)-N-methyl-7-(5-methylpyrimidin-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C13H17N5O2 — CID 97491195

IUPAC(5S)-N-methyl-7-(5-methylpyrimidin-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCNC(=O)C1=NO[C@@]2(CCN(c3ncc(C)cn3)C2)C1
InChIInChI=1S/C13H17N5O2/c1-9-6-15-12(16-7-9)18-4-3-13(8-18)5-10(17-20-13)11(19)14-2/h6-7H,3-5,8H2,1-2H3,(H,14,19)/t13-/m0/s1
InChIKeyVKQTXXCMQVWCLO-ZDUSSCGKSA-N
MW275.31 g/mol
LogP0.26
Rot. Bonds2

About (5S)-N-methyl-7-(5-methylpyrimidin-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5S)-N-methyl-7-(5-methylpyrimidin-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491195) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is (5S)-N-methyl-7-(5-methylpyrimidin-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound Name(5S)-N-methyl-7-(5-methylpyrimidin-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID97491195
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name(5S)-N-methyl-7-(5-methylpyrimidin-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCNC(=O)C1=NO[C@@]2(CCN(c3ncc(C)cn3)C2)C1
InChIInChI=1S/C13H17N5O2/c1-9-6-15-12(16-7-9)18-4-3-13(8-18)5-10(17-20-13)11(19)14-2/h6-7H,3-5,8H2,1-2H3,(H,14,19)/t13-/m0/s1
InChIKeyVKQTXXCMQVWCLO-ZDUSSCGKSA-N
XLogP0.26
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-7-(5-fluoropyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491341
(5R)-7-(5-fluoropyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491342
7-(5-fluoropyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134079613
(5S)-N-[[(2S)-oxolan-2-yl]methyl]-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97396182
(5R)-N-[[(2S)-oxolan-2-yl]methyl]-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97396183
(5R)-N-methyl-7-(5-methylpyrimidin-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491196
(5R)-N-methyl-N-propan-2-yl-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491287
(5S)-N-methyl-N-propan-2-yl-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491288
(5S)-7-(5-methylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491373
(5R)-7-(5-methylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491374
[(5R,6S)-6-(cyclopropylmethylamino)-9-(5-methylpyrimidin-2-yl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl]-pyrrolidin-1-ylmethanone
CID 124236942
[(5S,6R)-6-(cyclopropylmethylamino)-9-(5-methylpyrimidin-2-yl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl]-pyrrolidin-1-ylmethanone
CID 124236943

Frequently Asked Questions

What is the IUPAC name of (5S)-N-methyl-7-(5-methylpyrimidin-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of (5S)-N-methyl-7-(5-methylpyrimidin-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97491195) is (5S)-N-methyl-7-(5-methylpyrimidin-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for (5S)-N-methyl-7-(5-methylpyrimidin-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for (5S)-N-methyl-7-(5-methylpyrimidin-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is CNC(=O)C1=NO[C@@]2(CCN(c3ncc(C)cn3)C2)C1.
What is the InChIKey of (5S)-N-methyl-7-(5-methylpyrimidin-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is VKQTXXCMQVWCLO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9-6-15-12(16-7-9)18-4-3-13(8-18)5-10(17-20-13)11(19)14-2/h6-7H,3-5,8H2,1-2H3,(H,14,19)/t13-/m0/s1.
What are the key properties of (5S)-N-methyl-7-(5-methylpyrimidin-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
(5S)-N-methyl-7-(5-methylpyrimidin-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-methyl-7-(5-methylpyrimidin-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).