(1R,11R)-10,17-dihydroxy-4,12-dimethyl-5-oxo-4,12-diazahexacyclo[9.8.2.01,10.03,8.013,21.014,19]henicosa-3(8),6,14(19),15,17-pentaene-6-carboxamide

C22H23N3O4 — CID 90231278

IUPAC(1R,11R)-10,17-dihydroxy-4,12-dimethyl-5-oxo-4,12-diazahexacyclo[9.8.2.01,10.03,8.013,21.014,19]henicosa-3(8),6,14(19),15,17-pentaene-6-carboxamide
SMILESCN1C2c3ccc(O)cc3[C@@]34Cc5c(cc(C(N)=O)c(=O)n5C)CC3(O)[C@H]1C2C4
InChIInChI=1S/C22H23N3O4/c1-24-16-9-21-8-14-17(12-4-3-11(26)6-15(12)21)25(2)18(14)22(21,29)7-10(16)5-13(19(23)27)20(24)28/h3-6,14,17-18,26,29H,7-9H2,1-2H3,(H2,23,27)/t14?,17?,18-,21-,22?/m1/s1
InChIKeyYYFAFQFFSGTQBG-GZXIFXBBSA-N
MW393.44 g/mol
LogP0.35
Rot. Bonds1

About (1R,11R)-10,17-dihydroxy-4,12-dimethyl-5-oxo-4,12-diazahexacyclo[9.8.2.01,10.03,8.013,21.014,19]henicosa-3(8),6,14(19),15,17-pentaene-6-carboxamide

(1R,11R)-10,17-dihydroxy-4,12-dimethyl-5-oxo-4,12-diazahexacyclo[9.8.2.01,10.03,8.013,21.014,19]henicosa-3(8),6,14(19),15,17-pentaene-6-carboxamide (PubChem CID 90231278) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is (1R,11R)-10,17-dihydroxy-4,12-dimethyl-5-oxo-4,12-diazahexacyclo[9.8.2.01,10.03,8.013,21.014,19]henicosa-3(8),6,14(19),15,17-pentaene-6-carboxamide.

Molecular Properties

Compound Name(1R,11R)-10,17-dihydroxy-4,12-dimethyl-5-oxo-4,12-diazahexacyclo[9.8.2.01,10.03,8.013,21.014,19]henicosa-3(8),6,14(19),15,17-pentaene-6-carboxamide
PubChem CID90231278
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name(1R,11R)-10,17-dihydroxy-4,12-dimethyl-5-oxo-4,12-diazahexacyclo[9.8.2.01,10.03,8.013,21.014,19]henicosa-3(8),6,14(19),15,17-pentaene-6-carboxamide
SMILESCN1C2c3ccc(O)cc3[C@@]34Cc5c(cc(C(N)=O)c(=O)n5C)CC3(O)[C@H]1C2C4
InChIInChI=1S/C22H23N3O4/c1-24-16-9-21-8-14-17(12-4-3-11(26)6-15(12)21)25(2)18(14)22(21,29)7-10(16)5-13(19(23)27)20(24)28/h3-6,14,17-18,26,29H,7-9H2,1-2H3,(H2,23,27)/t14?,17?,18-,21-,22?/m1/s1
InChIKeyYYFAFQFFSGTQBG-GZXIFXBBSA-N
XLogP0.35
TPSA108.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1R,11R)-10,17-dihydroxy-4,12-dimethyl-5-oxo-4,12-diazahexacyclo[9.8.2.01,10.03,8.013,21.014,19]henicosa-3(8),6,14(19),15,17-pentaene-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,11R)-10,17-dihydroxy-4,12-dimethyl-5-oxo-4,12-diazahexacyclo[9.8.2.01,10.03,8.013,21.014,19]henicosa-3(8),6,14(19),15,17-pentaene-6-carboxamide?
The IUPAC name of (1R,11R)-10,17-dihydroxy-4,12-dimethyl-5-oxo-4,12-diazahexacyclo[9.8.2.01,10.03,8.013,21.014,19]henicosa-3(8),6,14(19),15,17-pentaene-6-carboxamide (CID 90231278) is (1R,11R)-10,17-dihydroxy-4,12-dimethyl-5-oxo-4,12-diazahexacyclo[9.8.2.01,10.03,8.013,21.014,19]henicosa-3(8),6,14(19),15,17-pentaene-6-carboxamide.
What is the SMILES notation for (1R,11R)-10,17-dihydroxy-4,12-dimethyl-5-oxo-4,12-diazahexacyclo[9.8.2.01,10.03,8.013,21.014,19]henicosa-3(8),6,14(19),15,17-pentaene-6-carboxamide?
The canonical SMILES for (1R,11R)-10,17-dihydroxy-4,12-dimethyl-5-oxo-4,12-diazahexacyclo[9.8.2.01,10.03,8.013,21.014,19]henicosa-3(8),6,14(19),15,17-pentaene-6-carboxamide is CN1C2c3ccc(O)cc3[C@@]34Cc5c(cc(C(N)=O)c(=O)n5C)CC3(O)[C@H]1C2C4.
What is the InChIKey of (1R,11R)-10,17-dihydroxy-4,12-dimethyl-5-oxo-4,12-diazahexacyclo[9.8.2.01,10.03,8.013,21.014,19]henicosa-3(8),6,14(19),15,17-pentaene-6-carboxamide?
The InChIKey is YYFAFQFFSGTQBG-GZXIFXBBSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-24-16-9-21-8-14-17(12-4-3-11(26)6-15(12)21)25(2)18(14)22(21,29)7-10(16)5-13(19(23)27)20(24)28/h3-6,14,17-18,26,29H,7-9H2,1-2H3,(H2,23,27)/t14?,17?,18-,21-,22?/m1/s1.
What are the key properties of (1R,11R)-10,17-dihydroxy-4,12-dimethyl-5-oxo-4,12-diazahexacyclo[9.8.2.01,10.03,8.013,21.014,19]henicosa-3(8),6,14(19),15,17-pentaene-6-carboxamide?
(1R,11R)-10,17-dihydroxy-4,12-dimethyl-5-oxo-4,12-diazahexacyclo[9.8.2.01,10.03,8.013,21.014,19]henicosa-3(8),6,14(19),15,17-pentaene-6-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,11R)-10,17-dihydroxy-4,12-dimethyl-5-oxo-4,12-diazahexacyclo[9.8.2.01,10.03,8.013,21.014,19]henicosa-3(8),6,14(19),15,17-pentaene-6-carboxamide is sourced from PubChem (CID 90231278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).