(8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-N-(6-methyl-3-pyridinyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxamide

C25H30N2O3 — CID 134145141

IUPAC(8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-N-(6-methyl-3-pyridinyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]2[C@@H]3[C@@H](O)C[C@]3(C)[C@@H](O)CC[C@@H]23)cn1
InChIInChI=1S/C25H30N2O3/c1-14-3-6-17(13-26-14)27-24(30)16-5-7-18-15(11-16)4-8-19-20-9-10-22(29)25(20,2)12-21(28)23(18)19/h3,5-7,11,13,19-23,28-29H,4,8-10,12H2,1-2H3,(H,27,30)/t19-,20-,21-,22-,23+,25-/m0/s1
InChIKeyXHOQUWOASSCOOG-FIIJTSBOSA-N
MW406.53 g/mol
LogP3.83
Rot. Bonds2

About (8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-N-(6-methyl-3-pyridinyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxamide

(8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-N-(6-methyl-3-pyridinyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxamide (PubChem CID 134145141) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is (8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-N-(6-methyl-3-pyridinyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxamide.

Molecular Properties

Compound Name(8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-N-(6-methyl-3-pyridinyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxamide
PubChem CID134145141
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name(8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-N-(6-methyl-3-pyridinyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]2[C@@H]3[C@@H](O)C[C@]3(C)[C@@H](O)CC[C@@H]23)cn1
InChIInChI=1S/C25H30N2O3/c1-14-3-6-17(13-26-14)27-24(30)16-5-7-18-15(11-16)4-8-19-20-9-10-22(29)25(20,2)12-21(28)23(18)19/h3,5-7,11,13,19-23,28-29H,4,8-10,12H2,1-2H3,(H,27,30)/t19-,20-,21-,22-,23+,25-/m0/s1
InChIKeyXHOQUWOASSCOOG-FIIJTSBOSA-N
XLogP3.83
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-N-(6-methyl-3-pyridinyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-N-(6-methyl-3-pyridinyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxamide?
The IUPAC name of (8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-N-(6-methyl-3-pyridinyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxamide (CID 134145141) is (8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-N-(6-methyl-3-pyridinyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxamide.
What is the SMILES notation for (8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-N-(6-methyl-3-pyridinyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxamide?
The canonical SMILES for (8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-N-(6-methyl-3-pyridinyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]2[C@@H]3[C@@H](O)C[C@]3(C)[C@@H](O)CC[C@@H]23)cn1.
What is the InChIKey of (8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-N-(6-methyl-3-pyridinyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxamide?
The InChIKey is XHOQUWOASSCOOG-FIIJTSBOSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-14-3-6-17(13-26-14)27-24(30)16-5-7-18-15(11-16)4-8-19-20-9-10-22(29)25(20,2)12-21(28)23(18)19/h3,5-7,11,13,19-23,28-29H,4,8-10,12H2,1-2H3,(H,27,30)/t19-,20-,21-,22-,23+,25-/m0/s1.
What are the key properties of (8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-N-(6-methyl-3-pyridinyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxamide?
(8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-N-(6-methyl-3-pyridinyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-N-(6-methyl-3-pyridinyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxamide is sourced from PubChem (CID 134145141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).