(1R)-10-oxo-11-prop-2-enoxy-N-(pyridin-4-ylmethyl)-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide

C20H20N4O3 — CID 69346825

IUPAC(1R)-10-oxo-11-prop-2-enoxy-N-(pyridin-4-ylmethyl)-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide
SMILESC=CCON1C(=O)N2C[C@H]1c1ccccc1C2C(=O)NCc1ccncc1
InChIInChI=1S/C20H20N4O3/c1-2-11-27-24-17-13-23(20(24)26)18(16-6-4-3-5-15(16)17)19(25)22-12-14-7-9-21-10-8-14/h2-10,17-18H,1,11-13H2,(H,22,25)/t17-,18?/m0/s1
InChIKeyVDGZTZDSXCHLTC-ZENAZSQFSA-N
MW364.41 g/mol
LogP2.35
Rot. Bonds6

About (1R)-10-oxo-11-prop-2-enoxy-N-(pyridin-4-ylmethyl)-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide

(1R)-10-oxo-11-prop-2-enoxy-N-(pyridin-4-ylmethyl)-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide (PubChem CID 69346825) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is (1R)-10-oxo-11-prop-2-enoxy-N-(pyridin-4-ylmethyl)-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide.

Molecular Properties

Compound Name(1R)-10-oxo-11-prop-2-enoxy-N-(pyridin-4-ylmethyl)-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide
PubChem CID69346825
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name(1R)-10-oxo-11-prop-2-enoxy-N-(pyridin-4-ylmethyl)-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide
SMILESC=CCON1C(=O)N2C[C@H]1c1ccccc1C2C(=O)NCc1ccncc1
InChIInChI=1S/C20H20N4O3/c1-2-11-27-24-17-13-23(20(24)26)18(16-6-4-3-5-15(16)17)19(25)22-12-14-7-9-21-10-8-14/h2-10,17-18H,1,11-13H2,(H,22,25)/t17-,18?/m0/s1
InChIKeyVDGZTZDSXCHLTC-ZENAZSQFSA-N
XLogP2.35
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R)-10-oxo-11-prop-2-enoxy-N-(pyridin-4-ylmethyl)-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide with MolForge

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Related Compounds

(1R)-N-benzyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide
CID 69346539
sodium [(1R,8R)-10-oxo-8-(pyridin-4-ylmethylcarbamoyl)-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl] sulfate
CID 172778910
(1R)-N-methyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide
CID 69345920
(1S)-N-(2-bromoethyl)-9-oxo-10-prop-2-enoxy-3-thia-5,8,10-triazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-7-carboxamide
CID 129275047
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566085
(1S)-9-oxo-10-phenylmethoxy-4-N-(2-pyridin-4-ylethyl)-5-thia-8,10-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-4,7-dicarboxamide
CID 68927731
[(1R,8S)-8-[(cyclopropanecarbonylamino)carbamoyl]-10-oxo-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl] hydrogen sulfate
CID 90423088
ethyl 10-oxo-11-phenylmethoxy-4-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxylate
CID 68925938
2-(8-oxido-10-oxo-11-prop-2-enoxy-9,11-diaza-8-azoniatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-yl)acetic acid
CID 87799455
(2S)-3-methylidene-1-N,2-N-bis(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 21177980
(3R)-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28529670
trans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 97084371

Frequently Asked Questions

What is the IUPAC name of (1R)-10-oxo-11-prop-2-enoxy-N-(pyridin-4-ylmethyl)-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide?
The IUPAC name of (1R)-10-oxo-11-prop-2-enoxy-N-(pyridin-4-ylmethyl)-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide (CID 69346825) is (1R)-10-oxo-11-prop-2-enoxy-N-(pyridin-4-ylmethyl)-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide.
What is the SMILES notation for (1R)-10-oxo-11-prop-2-enoxy-N-(pyridin-4-ylmethyl)-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide?
The canonical SMILES for (1R)-10-oxo-11-prop-2-enoxy-N-(pyridin-4-ylmethyl)-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide is C=CCON1C(=O)N2C[C@H]1c1ccccc1C2C(=O)NCc1ccncc1.
What is the InChIKey of (1R)-10-oxo-11-prop-2-enoxy-N-(pyridin-4-ylmethyl)-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide?
The InChIKey is VDGZTZDSXCHLTC-ZENAZSQFSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-2-11-27-24-17-13-23(20(24)26)18(16-6-4-3-5-15(16)17)19(25)22-12-14-7-9-21-10-8-14/h2-10,17-18H,1,11-13H2,(H,22,25)/t17-,18?/m0/s1.
What are the key properties of (1R)-10-oxo-11-prop-2-enoxy-N-(pyridin-4-ylmethyl)-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide?
(1R)-10-oxo-11-prop-2-enoxy-N-(pyridin-4-ylmethyl)-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-10-oxo-11-prop-2-enoxy-N-(pyridin-4-ylmethyl)-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide is sourced from PubChem (CID 69346825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).