(4R)-N-cyclopropyl-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-pyridin-4-ylpentanamide

C32H46N2O2 — CID 169312241

About (4R)-N-cyclopropyl-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-pyridin-4-ylpentanamide

(4R)-N-cyclopropyl-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-pyridin-4-ylpentanamide (PubChem CID 169312241) has the molecular formula C32H46N2O2 and a molecular weight of 490.73 g/mol. Its IUPAC name is (4R)-N-cyclopropyl-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-pyridin-4-ylpentanamide.

Molecular Properties

• Compound Name: (4R)-N-cyclopropyl-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-pyridin-4-ylpentanamide
• PubChem CID: 169312241
• Molecular Formula: C32H46N2O2
• Molecular Weight: 490.73 g/mol
• Exact Mass: 490.36
• IUPAC Name: (4R)-N-cyclopropyl-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-pyridin-4-ylpentanamide
• SMILES: C[C@H](CCC(=O)N(c1ccncc1)C1CC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
• InChI: InChI=1S/C32H46N2O2/c1-21(4-11-30(36)34(23-6-7-23)24-14-18-33-19-15-24)27-9-10-28-26-8-5-22-20-25(35)12-16-31(22,2)29(26)13-17-32(27,28)3/h5,14-15,18-19,21,23,25-29,35H,4,6-13,16-17,20H2,1-3H3/t21-,25+,26+,27-,28+,29+,31+,32-/m1/s1
• InChIKey: FKVVKQNEEGIOHR-KNLNLFKVSA-N
• XLogP: 6.93
• TPSA: 53.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.73
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-N-cyclopropyl-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-pyridin-4-ylpentanamide?

The IUPAC name of (4R)-N-cyclopropyl-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-pyridin-4-ylpentanamide (CID 169312241) is (4R)-N-cyclopropyl-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-pyridin-4-ylpentanamide.

What is the SMILES notation for (4R)-N-cyclopropyl-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-pyridin-4-ylpentanamide?

The canonical SMILES for (4R)-N-cyclopropyl-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-pyridin-4-ylpentanamide is C[C@H](CCC(=O)N(c1ccncc1)C1CC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.

What is the InChIKey of (4R)-N-cyclopropyl-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-pyridin-4-ylpentanamide?

The InChIKey is FKVVKQNEEGIOHR-KNLNLFKVSA-N. The full InChI is InChI=1S/C32H46N2O2/c1-21(4-11-30(36)34(23-6-7-23)24-14-18-33-19-15-24)27-9-10-28-26-8-5-22-20-25(35)12-16-31(22,2)29(26)13-17-32(27,28)3/h5,14-15,18-19,21,23,25-29,35H,4,6-13,16-17,20H2,1-3H3/t21-,25+,26+,27-,28+,29+,31+,32-/m1/s1.

What are the key properties of (4R)-N-cyclopropyl-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-pyridin-4-ylpentanamide?

(4R)-N-cyclopropyl-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-pyridin-4-ylpentanamide has a molecular weight of 490.73 g/mol, XLogP of 6.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-N-cyclopropyl-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-pyridin-4-ylpentanamide is sourced from PubChem (CID 169312241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).