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

C17H23N5O3 — CID 97491373

IUPAC(5S)-7-(5-methylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCc1cnc(N2CC[C@]3(CC(C(=O)NC[C@@H]4CCCO4)=NO3)C2)nc1
InChIInChI=1S/C17H23N5O3/c1-12-8-19-16(20-9-12)22-5-4-17(11-22)7-14(21-25-17)15(23)18-10-13-3-2-6-24-13/h8-9,13H,2-7,10-11H2,1H3,(H,18,23)/t13-,17-/m0/s1
InChIKeyIPYCCSNLGLZNLS-GUYCJALGSA-N
MW345.40 g/mol
LogP0.81
Rot. Bonds4

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

(5S)-7-(5-methylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491373) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (5S)-7-(5-methylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound Name(5S)-7-(5-methylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID97491373
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(5S)-7-(5-methylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCc1cnc(N2CC[C@]3(CC(C(=O)NC[C@@H]4CCCO4)=NO3)C2)nc1
InChIInChI=1S/C17H23N5O3/c1-12-8-19-16(20-9-12)22-5-4-17(11-22)7-14(21-25-17)15(23)18-10-13-3-2-6-24-13/h8-9,13H,2-7,10-11H2,1H3,(H,18,23)/t13-,17-/m0/s1
InChIKeyIPYCCSNLGLZNLS-GUYCJALGSA-N
XLogP0.81
TPSA88.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-{[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}acetamide
CID 72937737
(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
(1-Fluorocyclobutyl)-[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 131685195
7-(5-fluoropyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134079613
(1R,5S,6S)-N-(2-methylpropyl)-3-(5-methylpyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 155900038
3-{1-[(2-amino-5-pyrimidinyl)methyl]-4-piperidinyl}-N-(tetrahydro-2-furanylmethyl)propanamide
CID 45244784
1-{2-[1-({2-[(Tetrahydro-2-furanylmethyl)amino]-5-pyrimidinyl}methyl)-4-piperidinyl]ethyl}-2-pyrrolidinone
CID 70743430
2-Methyl-8-({2-[(tetrahydro-2-furanylmethyl)amino]-5-pyrimidinyl}methyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70766986
2-Methyl-9-({2-[(tetrahydrofuran-2-ylmethyl)amino]pyrimidin-5-yl}methyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70769048
5-{[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amino]methyl}-N-(tetrahydrofuran-2-ylmethyl)pyrimidin-2-amine
CID 77085262
2-methyl-8-[[2-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 95891916

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(5-methylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of (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) is (5S)-7-(5-methylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for (5S)-7-(5-methylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for (5S)-7-(5-methylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is Cc1cnc(N2CC[C@]3(CC(C(=O)NC[C@@H]4CCCO4)=NO3)C2)nc1.
What is the InChIKey of (5S)-7-(5-methylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is IPYCCSNLGLZNLS-GUYCJALGSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12-8-19-16(20-9-12)22-5-4-17(11-22)7-14(21-25-17)15(23)18-10-13-3-2-6-24-13/h8-9,13H,2-7,10-11H2,1H3,(H,18,23)/t13-,17-/m0/s1.
What are the key properties of (5S)-7-(5-methylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
(5S)-7-(5-methylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(5-methylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).