(1R,9S,10R,14R)-12,12-dimethyl-7,11,13,15-tetraoxa-2,4-diazatetracyclo[7.5.1.02,6.010,14]pentadeca-3,5-diene-5-carboxamide

C12H15N3O5 — CID 58241310

IUPAC(1R,9S,10R,14R)-12,12-dimethyl-7,11,13,15-tetraoxa-2,4-diazatetracyclo[7.5.1.02,6.010,14]pentadeca-3,5-diene-5-carboxamide
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H]1COc3c(C(N)=O)ncn3[C@@H]2O1
InChIInChI=1S/C12H15N3O5/c1-12(2)19-7-5-3-17-10-6(9(13)16)14-4-15(10)11(18-5)8(7)20-12/h4-5,7-8,11H,3H2,1-2H3,(H2,13,16)/t5-,7+,8+,11+/m0/s1
InChIKeyHRMHJFDKIPUHJB-TXRROPDSSA-N
MW281.27 g/mol
LogP-0.21
Rot. Bonds1

About (1R,9S,10R,14R)-12,12-dimethyl-7,11,13,15-tetraoxa-2,4-diazatetracyclo[7.5.1.02,6.010,14]pentadeca-3,5-diene-5-carboxamide

(1R,9S,10R,14R)-12,12-dimethyl-7,11,13,15-tetraoxa-2,4-diazatetracyclo[7.5.1.02,6.010,14]pentadeca-3,5-diene-5-carboxamide (PubChem CID 58241310) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is (1R,9S,10R,14R)-12,12-dimethyl-7,11,13,15-tetraoxa-2,4-diazatetracyclo[7.5.1.02,6.010,14]pentadeca-3,5-diene-5-carboxamide.

Molecular Properties

Compound Name(1R,9S,10R,14R)-12,12-dimethyl-7,11,13,15-tetraoxa-2,4-diazatetracyclo[7.5.1.02,6.010,14]pentadeca-3,5-diene-5-carboxamide
PubChem CID58241310
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name(1R,9S,10R,14R)-12,12-dimethyl-7,11,13,15-tetraoxa-2,4-diazatetracyclo[7.5.1.02,6.010,14]pentadeca-3,5-diene-5-carboxamide
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H]1COc3c(C(N)=O)ncn3[C@@H]2O1
InChIInChI=1S/C12H15N3O5/c1-12(2)19-7-5-3-17-10-6(9(13)16)14-4-15(10)11(18-5)8(7)20-12/h4-5,7-8,11H,3H2,1-2H3,(H2,13,16)/t5-,7+,8+,11+/m0/s1
InChIKeyHRMHJFDKIPUHJB-TXRROPDSSA-N
XLogP-0.21
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R,9S,10R,14R)-12,12-dimethyl-7,11,13,15-tetraoxa-2,4-diazatetracyclo[7.5.1.02,6.010,14]pentadeca-3,5-diene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl (NZ)-N-[(1R,10R,11R,15R)-13,13-dimethyl-8,12,14,16-tetraoxa-2,6-diazatetracyclo[8.5.1.02,7.011,15]hexadeca-3,6-dien-5-ylidene]carbamate
CID 164801963
1-[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2,4-triazole-3-carboxamide
CID 131700644
1-[(3aS,4R,6S,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2,4-triazole-3-carboxamide
CID 124891006
(2R,7S,8R)-5,5,11-trimethyl-4,6,18-trioxa-1,12,15-triaza-10-azoniapentacyclo[8.6.1.12,8.03,7.014,17]octadeca-10(17),11,13,15-tetraen-13-amine
CID 91214278
(1R,13R,14R,18R)-16,16-dimethyl-11,15,17,19-tetraoxa-2,4,6,9-tetrazapentacyclo[11.5.1.02,10.03,8.014,18]nonadeca-3,5,7,9-tetraen-7-amine
CID 15596166
(1R,10R,11R,15R)-13,13-dimethyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione
CID 14606217
1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-5-hydroxyimidazole-4-carboxamide
CID 159068153
[(3aR,4R,6R,6aR)-4-(6-bromopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
CID 86607305
9-[(3aR,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-purin-6-one
CID 137199701
(1R,10R,11R,15R,16R,24R,25R,29S)-13,13,27,27-tetramethyl-19,21-dioxido-19,21-dioxo-12,14,18,20,22,26,28,31-octaoxa-4,7,9-triaza-2-azonia-19λ5,21λ5-diphosphaheptacyclo[22.5.1.12,6.110,16.05,9.011,15.025,29]dotriaconta-2(32),3,5,7-tetraen-32-amine;triethylazanium
CID 11274087
3-[[(1R,13R,14R,18R)-16,16-dimethyl-3,5-dioxo-9,11,15,17,19-pentaoxa-2,4-diaza-10-phosphatetracyclo[11.5.1.12,6.014,18]icos-6(20)-en-10-yl]oxy]propanenitrile
CID 10788591
(3aS,4R,6S)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid
CID 90277350

Frequently Asked Questions

What is the IUPAC name of (1R,9S,10R,14R)-12,12-dimethyl-7,11,13,15-tetraoxa-2,4-diazatetracyclo[7.5.1.02,6.010,14]pentadeca-3,5-diene-5-carboxamide?
The IUPAC name of (1R,9S,10R,14R)-12,12-dimethyl-7,11,13,15-tetraoxa-2,4-diazatetracyclo[7.5.1.02,6.010,14]pentadeca-3,5-diene-5-carboxamide (CID 58241310) is (1R,9S,10R,14R)-12,12-dimethyl-7,11,13,15-tetraoxa-2,4-diazatetracyclo[7.5.1.02,6.010,14]pentadeca-3,5-diene-5-carboxamide.
What is the SMILES notation for (1R,9S,10R,14R)-12,12-dimethyl-7,11,13,15-tetraoxa-2,4-diazatetracyclo[7.5.1.02,6.010,14]pentadeca-3,5-diene-5-carboxamide?
The canonical SMILES for (1R,9S,10R,14R)-12,12-dimethyl-7,11,13,15-tetraoxa-2,4-diazatetracyclo[7.5.1.02,6.010,14]pentadeca-3,5-diene-5-carboxamide is CC1(C)O[C@@H]2[C@H](O1)[C@@H]1COc3c(C(N)=O)ncn3[C@@H]2O1.
What is the InChIKey of (1R,9S,10R,14R)-12,12-dimethyl-7,11,13,15-tetraoxa-2,4-diazatetracyclo[7.5.1.02,6.010,14]pentadeca-3,5-diene-5-carboxamide?
The InChIKey is HRMHJFDKIPUHJB-TXRROPDSSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-12(2)19-7-5-3-17-10-6(9(13)16)14-4-15(10)11(18-5)8(7)20-12/h4-5,7-8,11H,3H2,1-2H3,(H2,13,16)/t5-,7+,8+,11+/m0/s1.
What are the key properties of (1R,9S,10R,14R)-12,12-dimethyl-7,11,13,15-tetraoxa-2,4-diazatetracyclo[7.5.1.02,6.010,14]pentadeca-3,5-diene-5-carboxamide?
(1R,9S,10R,14R)-12,12-dimethyl-7,11,13,15-tetraoxa-2,4-diazatetracyclo[7.5.1.02,6.010,14]pentadeca-3,5-diene-5-carboxamide has a molecular weight of 281.27 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S,10R,14R)-12,12-dimethyl-7,11,13,15-tetraoxa-2,4-diazatetracyclo[7.5.1.02,6.010,14]pentadeca-3,5-diene-5-carboxamide is sourced from PubChem (CID 58241310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).