(1R,9R)-5-(furan-2-yl)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

C23H23N3O4 — CID 7143812

IUPAC(1R,9R)-5-(furan-2-yl)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
SMILESCOc1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccco3)c(=O)n1C2
InChIInChI=1S/C23H23N3O4/c1-29-21-6-3-2-5-18(21)24-23(28)25-12-15-11-16(14-25)19-9-8-17(20-7-4-10-30-20)22(27)26(19)13-15/h2-10,15-16H,11-14H2,1H3,(H,24,28)/t15-,16+/m0/s1
InChIKeyKCXLGVNJDUXASG-JKSUJKDBSA-N
MW405.45 g/mol
LogP3.77
Rot. Bonds3

About (1R,9R)-5-(furan-2-yl)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

(1R,9R)-5-(furan-2-yl)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (PubChem CID 7143812) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is (1R,9R)-5-(furan-2-yl)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

Molecular Properties

Compound Name(1R,9R)-5-(furan-2-yl)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
PubChem CID7143812
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name(1R,9R)-5-(furan-2-yl)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
SMILESCOc1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccco3)c(=O)n1C2
InChIInChI=1S/C23H23N3O4/c1-29-21-6-3-2-5-18(21)24-23(28)25-12-15-11-16(14-25)19-9-8-17(20-7-4-10-30-20)22(27)26(19)13-15/h2-10,15-16H,11-14H2,1H3,(H,24,28)/t15-,16+/m0/s1
InChIKeyKCXLGVNJDUXASG-JKSUJKDBSA-N
XLogP3.77
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,9R)-5-(furan-2-yl)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide with MolForge

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Related Compounds

N-(2-methoxyphenyl)-5-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
CID 73133753
(1R,9R)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
CID 6545115
(1R,9S)-5-(furan-2-yl)-11-(4-methoxybenzoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 7143801
1-(11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl)-3-(2-methoxyphenyl)urea
CID 78454195
1-[(1R,9R)-11-(3,3-dimethylbutanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-(2-methoxyphenyl)urea
CID 162812711
1-(2-methoxyphenyl)-3-[(1R,9R)-11-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea
CID 162808725
N-(2,5-dimethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
CID 3834687
1-(2-methoxyphenyl)-3-[(1R,9S)-6-oxo-11-(pyridine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea
CID 11885915
1-(2-methoxyphenyl)-3-[(1R,9R)-6-oxo-11-(2-thiophen-2-ylacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea
CID 162810900
(1R,9R)-11-(1-acetylpiperidin-4-yl)-5-(furan-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 163169343
(1R,9S)-3-(1-benzothiophen-2-yl)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
CID 162850303
(1R,9R)-N-(4-methoxyphenyl)-6-oxo-5-(propan-2-ylcarbamoylamino)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
CID 11885919

Frequently Asked Questions

What is the IUPAC name of (1R,9R)-5-(furan-2-yl)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?
The IUPAC name of (1R,9R)-5-(furan-2-yl)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (CID 7143812) is (1R,9R)-5-(furan-2-yl)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.
What is the SMILES notation for (1R,9R)-5-(furan-2-yl)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?
The canonical SMILES for (1R,9R)-5-(furan-2-yl)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is COc1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccco3)c(=O)n1C2.
What is the InChIKey of (1R,9R)-5-(furan-2-yl)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?
The InChIKey is KCXLGVNJDUXASG-JKSUJKDBSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-29-21-6-3-2-5-18(21)24-23(28)25-12-15-11-16(14-25)19-9-8-17(20-7-4-10-30-20)22(27)26(19)13-15/h2-10,15-16H,11-14H2,1H3,(H,24,28)/t15-,16+/m0/s1.
What are the key properties of (1R,9R)-5-(furan-2-yl)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?
(1R,9R)-5-(furan-2-yl)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-5-(furan-2-yl)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is sourced from PubChem (CID 7143812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).