1-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide

C24H30FN5O4 — CID 162658864

IUPAC1-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
SMILESCCN(C)C(=O)CNC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O
InChIInChI=1S/C24H30FN5O4/c1-3-29(2)18(31)13-27-24-10-8-16(9-11-24)14-30-22(34)20(32)19(28-23(24)30)21(33)26-12-15-4-6-17(25)7-5-15/h4-7,16,27,32H,3,8-14H2,1-2H3,(H,26,33)
InChIKeyMKONZOFGJBBGKY-UHFFFAOYSA-N
MW471.53 g/mol
LogP1.49
Rot. Bonds7

About 1-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide

1-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide (PubChem CID 162658864) has the molecular formula C24H30FN5O4 and a molecular weight of 471.53 g/mol. Its IUPAC name is 1-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide.

Molecular Properties

Compound Name1-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
PubChem CID162658864
Molecular FormulaC24H30FN5O4
Molecular Weight471.53 g/mol
Exact Mass471.23
IUPAC Name1-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
SMILESCCN(C)C(=O)CNC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O
InChIInChI=1S/C24H30FN5O4/c1-3-29(2)18(31)13-27-24-10-8-16(9-11-24)14-30-22(34)20(32)19(28-23(24)30)21(33)26-12-15-4-6-17(25)7-5-15/h4-7,16,27,32H,3,8-14H2,1-2H3,(H,26,33)
InChIKeyMKONZOFGJBBGKY-UHFFFAOYSA-N
XLogP1.49
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
The IUPAC name of 1-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide (CID 162658864) is 1-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide.
What is the SMILES notation for 1-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
The canonical SMILES for 1-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide is CCN(C)C(=O)CNC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O.
What is the InChIKey of 1-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
The InChIKey is MKONZOFGJBBGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O4/c1-3-29(2)18(31)13-27-24-10-8-16(9-11-24)14-30-22(34)20(32)19(28-23(24)30)21(33)26-12-15-4-6-17(25)7-5-15/h4-7,16,27,32H,3,8-14H2,1-2H3,(H,26,33).
What are the key properties of 1-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
1-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide has a molecular weight of 471.53 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide is sourced from PubChem (CID 162658864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).