N-(6-methoxy-3-pyridinyl)-2-[[19-methyl-3-(2-methylpropyl)-14-oxo-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-7-yl]oxy]acetamide

C32H32N6O4 — CID 11180547

IUPACN-(6-methoxy-3-pyridinyl)-2-[[19-methyl-3-(2-methylpropyl)-14-oxo-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-7-yl]oxy]acetamide
SMILESCOc1ccc(NC(=O)COc2ccc3c(c2)c2c4c(c5c(c2n3CC(C)C)CCc2nn(C)cc2-5)C(=O)NC4)cn1
InChIInChI=1S/C32H32N6O4/c1-17(2)14-38-25-9-6-19(42-16-26(39)35-18-5-10-27(41-4)33-12-18)11-21(25)29-22-13-34-32(40)30(22)28-20(31(29)38)7-8-24-23(28)15-37(3)36-24/h5-6,9-12,15,17H,7-8,13-14,16H2,1-4H3,(H,34,40)(H,35,39)
InChIKeyIITGXVHFJWPLDW-UHFFFAOYSA-N
MW564.65 g/mol
LogP4.61
Rot. Bonds7

About N-(6-methoxy-3-pyridinyl)-2-[[19-methyl-3-(2-methylpropyl)-14-oxo-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-7-yl]oxy]acetamide

N-(6-methoxy-3-pyridinyl)-2-[[19-methyl-3-(2-methylpropyl)-14-oxo-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-7-yl]oxy]acetamide (PubChem CID 11180547) has the molecular formula C32H32N6O4 and a molecular weight of 564.65 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-2-[[19-methyl-3-(2-methylpropyl)-14-oxo-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-7-yl]oxy]acetamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-2-[[19-methyl-3-(2-methylpropyl)-14-oxo-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-7-yl]oxy]acetamide
PubChem CID11180547
Molecular FormulaC32H32N6O4
Molecular Weight564.65 g/mol
Exact Mass564.25
IUPAC NameN-(6-methoxy-3-pyridinyl)-2-[[19-methyl-3-(2-methylpropyl)-14-oxo-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-7-yl]oxy]acetamide
SMILESCOc1ccc(NC(=O)COc2ccc3c(c2)c2c4c(c5c(c2n3CC(C)C)CCc2nn(C)cc2-5)C(=O)NC4)cn1
InChIInChI=1S/C32H32N6O4/c1-17(2)14-38-25-9-6-19(42-16-26(39)35-18-5-10-27(41-4)33-12-18)11-21(25)29-22-13-34-32(40)30(22)28-20(31(29)38)7-8-24-23(28)15-37(3)36-24/h5-6,9-12,15,17H,7-8,13-14,16H2,1-4H3,(H,34,40)(H,35,39)
InChIKeyIITGXVHFJWPLDW-UHFFFAOYSA-N
XLogP4.61
TPSA112.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.65
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze N-(6-methoxy-3-pyridinyl)-2-[[19-methyl-3-(2-methylpropyl)-14-oxo-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-7-yl]oxy]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-2-[[19-methyl-3-(2-methylpropyl)-14-oxo-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-7-yl]oxy]acetamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-2-[[19-methyl-3-(2-methylpropyl)-14-oxo-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-7-yl]oxy]acetamide (CID 11180547) is N-(6-methoxy-3-pyridinyl)-2-[[19-methyl-3-(2-methylpropyl)-14-oxo-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-7-yl]oxy]acetamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-2-[[19-methyl-3-(2-methylpropyl)-14-oxo-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-7-yl]oxy]acetamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-2-[[19-methyl-3-(2-methylpropyl)-14-oxo-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-7-yl]oxy]acetamide is COc1ccc(NC(=O)COc2ccc3c(c2)c2c4c(c5c(c2n3CC(C)C)CCc2nn(C)cc2-5)C(=O)NC4)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-2-[[19-methyl-3-(2-methylpropyl)-14-oxo-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-7-yl]oxy]acetamide?
The InChIKey is IITGXVHFJWPLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O4/c1-17(2)14-38-25-9-6-19(42-16-26(39)35-18-5-10-27(41-4)33-12-18)11-21(25)29-22-13-34-32(40)30(22)28-20(31(29)38)7-8-24-23(28)15-37(3)36-24/h5-6,9-12,15,17H,7-8,13-14,16H2,1-4H3,(H,34,40)(H,35,39).
What are the key properties of N-(6-methoxy-3-pyridinyl)-2-[[19-methyl-3-(2-methylpropyl)-14-oxo-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-7-yl]oxy]acetamide?
N-(6-methoxy-3-pyridinyl)-2-[[19-methyl-3-(2-methylpropyl)-14-oxo-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-7-yl]oxy]acetamide has a molecular weight of 564.65 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-2-[[19-methyl-3-(2-methylpropyl)-14-oxo-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-7-yl]oxy]acetamide is sourced from PubChem (CID 11180547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).