N-[3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-10-oxo-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,8,11-pentaen-12-yl]acetamide

C17H19N5O6 — CID 135451499

IUPACN-[3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-10-oxo-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,8,11-pentaen-12-yl]acetamide
SMILESCC(=O)Nc1cc(=O)nc2c3c(n([C@@H]4O[C@H](CO)[C@@H](O)[C@@]4(C)O)cc13)N=CN2
InChIInChI=1S/C17H19N5O6/c1-7(24)20-9-3-11(25)21-14-12-8(9)4-22(15(12)19-6-18-14)16-17(2,27)13(26)10(5-23)28-16/h3-4,6,10,13,16,23,26-27H,5H2,1-2H3,(H,20,24)(H,18,19,21,25)/t10-,13-,16-,17-/m1/s1
InChIKeyJIPYIHALDIWXLT-FPOOMLEOSA-N
MW389.37 g/mol
LogP-0.56
Rot. Bonds3

About N-[3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-10-oxo-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,8,11-pentaen-12-yl]acetamide

N-[3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-10-oxo-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,8,11-pentaen-12-yl]acetamide (PubChem CID 135451499) has the molecular formula C17H19N5O6 and a molecular weight of 389.37 g/mol. Its IUPAC name is N-[3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-10-oxo-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,8,11-pentaen-12-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-10-oxo-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,8,11-pentaen-12-yl]acetamide
PubChem CID135451499
Molecular FormulaC17H19N5O6
Molecular Weight389.37 g/mol
Exact Mass389.13
IUPAC NameN-[3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-10-oxo-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,8,11-pentaen-12-yl]acetamide
SMILESCC(=O)Nc1cc(=O)nc2c3c(n([C@@H]4O[C@H](CO)[C@@H](O)[C@@]4(C)O)cc13)N=CN2
InChIInChI=1S/C17H19N5O6/c1-7(24)20-9-3-11(25)21-14-12-8(9)4-22(15(12)19-6-18-14)16-17(2,27)13(26)10(5-23)28-16/h3-4,6,10,13,16,23,26-27H,5H2,1-2H3,(H,20,24)(H,18,19,21,25)/t10-,13-,16-,17-/m1/s1
InChIKeyJIPYIHALDIWXLT-FPOOMLEOSA-N
XLogP-0.56
TPSA158.30 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 5-0.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze N-[3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-10-oxo-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,8,11-pentaen-12-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-10-oxo-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,8,11-pentaen-12-yl]acetamide?
The IUPAC name of N-[3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-10-oxo-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,8,11-pentaen-12-yl]acetamide (CID 135451499) is N-[3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-10-oxo-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,8,11-pentaen-12-yl]acetamide.
What is the SMILES notation for N-[3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-10-oxo-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,8,11-pentaen-12-yl]acetamide?
The canonical SMILES for N-[3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-10-oxo-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,8,11-pentaen-12-yl]acetamide is CC(=O)Nc1cc(=O)nc2c3c(n([C@@H]4O[C@H](CO)[C@@H](O)[C@@]4(C)O)cc13)N=CN2.
What is the InChIKey of N-[3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-10-oxo-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,8,11-pentaen-12-yl]acetamide?
The InChIKey is JIPYIHALDIWXLT-FPOOMLEOSA-N. The full InChI is InChI=1S/C17H19N5O6/c1-7(24)20-9-3-11(25)21-14-12-8(9)4-22(15(12)19-6-18-14)16-17(2,27)13(26)10(5-23)28-16/h3-4,6,10,13,16,23,26-27H,5H2,1-2H3,(H,20,24)(H,18,19,21,25)/t10-,13-,16-,17-/m1/s1.
What are the key properties of N-[3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-10-oxo-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,8,11-pentaen-12-yl]acetamide?
N-[3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-10-oxo-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,8,11-pentaen-12-yl]acetamide has a molecular weight of 389.37 g/mol, XLogP of -0.56, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-10-oxo-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,8,11-pentaen-12-yl]acetamide is sourced from PubChem (CID 135451499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).