N-[4-(4-methoxyphenyl)-3-oxo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl]acetamide

C17H14N6O3 — CID 42626075

IUPACN-[4-(4-methoxyphenyl)-3-oxo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl]acetamide
SMILESCOc1ccc(-n2nc3c(NC(C)=O)nc4ncccc4n3c2=O)cc1
InChIInChI=1S/C17H14N6O3/c1-10(24)19-15-16-21-23(11-5-7-12(26-2)8-6-11)17(25)22(16)13-4-3-9-18-14(13)20-15/h3-9H,1-2H3,(H,18,19,20,24)
InChIKeyIJOCBOFPEVYKDU-UHFFFAOYSA-N
MW350.34 g/mol
LogP1.40
Rot. Bonds3

About N-[4-(4-methoxyphenyl)-3-oxo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl]acetamide

N-[4-(4-methoxyphenyl)-3-oxo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl]acetamide (PubChem CID 42626075) has the molecular formula C17H14N6O3 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-3-oxo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-3-oxo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl]acetamide
PubChem CID42626075
Molecular FormulaC17H14N6O3
Molecular Weight350.34 g/mol
Exact Mass350.11
IUPAC NameN-[4-(4-methoxyphenyl)-3-oxo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl]acetamide
SMILESCOc1ccc(-n2nc3c(NC(C)=O)nc4ncccc4n3c2=O)cc1
InChIInChI=1S/C17H14N6O3/c1-10(24)19-15-16-21-23(11-5-7-12(26-2)8-6-11)17(25)22(16)13-4-3-9-18-14(13)20-15/h3-9H,1-2H3,(H,18,19,20,24)
InChIKeyIJOCBOFPEVYKDU-UHFFFAOYSA-N
XLogP1.40
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(4-methoxyphenyl)-3-oxo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl]acetamide with MolForge

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Related Compounds

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N-(4-phenoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
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3-Ethyl-1-(4-methoxyphenyl)-1-[2-(propan-2-ylamino)pyrimidin-4-yl]urea
CID 44412875
N-[4-[[8-(4-methoxyphenyl)-7-oxopteridin-2-yl]amino]phenyl]prop-2-enamide
CID 72202733
N-[3-[2-(4-methoxyanilino)-7-oxopteridin-8-yl]phenyl]prop-2-enamide
CID 72202734
2-(4-Aminoanilino)-8-(4-methoxyphenyl)pteridin-7-one
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CID 72203002
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CID 72203136

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-3-oxo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl]acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-3-oxo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl]acetamide (CID 42626075) is N-[4-(4-methoxyphenyl)-3-oxo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl]acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-3-oxo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl]acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-3-oxo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl]acetamide is COc1ccc(-n2nc3c(NC(C)=O)nc4ncccc4n3c2=O)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-3-oxo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl]acetamide?
The InChIKey is IJOCBOFPEVYKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3/c1-10(24)19-15-16-21-23(11-5-7-12(26-2)8-6-11)17(25)22(16)13-4-3-9-18-14(13)20-15/h3-9H,1-2H3,(H,18,19,20,24).
What are the key properties of N-[4-(4-methoxyphenyl)-3-oxo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl]acetamide?
N-[4-(4-methoxyphenyl)-3-oxo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl]acetamide has a molecular weight of 350.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-3-oxo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl]acetamide is sourced from PubChem (CID 42626075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).