N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-pyridin-2-ylacetamide

C26H35N3O2 — CID 67481289

IUPACN-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-pyridin-2-ylacetamide
SMILESCN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(NC(=O)Cc3ccccn3)CC[C@@H]12
InChIInChI=1S/C26H35N3O2/c1-25-13-11-20-18(7-10-22-26(20,2)14-12-24(31)29(22)3)19(25)8-9-21(25)28-23(30)16-17-6-4-5-15-27-17/h4-6,12,14-15,18-22H,7-11,13,16H2,1-3H3,(H,28,30)/t18-,19-,20+,21?,22?,25-,26+/m0/s1
InChIKeyAWZAYUYNIJMAES-DCOBPKOZSA-N
MW421.59 g/mol
LogP3.75
Rot. Bonds3

About N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-pyridin-2-ylacetamide

N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-pyridin-2-ylacetamide (PubChem CID 67481289) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-pyridin-2-ylacetamide
PubChem CID67481289
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC NameN-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-pyridin-2-ylacetamide
SMILESCN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(NC(=O)Cc3ccccn3)CC[C@@H]12
InChIInChI=1S/C26H35N3O2/c1-25-13-11-20-18(7-10-22-26(20,2)14-12-24(31)29(22)3)19(25)8-9-21(25)28-23(30)16-17-6-4-5-15-27-17/h4-6,12,14-15,18-22H,7-11,13,16H2,1-3H3,(H,28,30)/t18-,19-,20+,21?,22?,25-,26+/m0/s1
InChIKeyAWZAYUYNIJMAES-DCOBPKOZSA-N
XLogP3.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-pyridin-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-pyridin-2-ylacetamide (CID 67481289) is N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-pyridin-2-ylacetamide is CN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(NC(=O)Cc3ccccn3)CC[C@@H]12.
What is the InChIKey of N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-pyridin-2-ylacetamide?
The InChIKey is AWZAYUYNIJMAES-DCOBPKOZSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-25-13-11-20-18(7-10-22-26(20,2)14-12-24(31)29(22)3)19(25)8-9-21(25)28-23(30)16-17-6-4-5-15-27-17/h4-6,12,14-15,18-22H,7-11,13,16H2,1-3H3,(H,28,30)/t18-,19-,20+,21?,22?,25-,26+/m0/s1.
What are the key properties of N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-pyridin-2-ylacetamide?
N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-pyridin-2-ylacetamide has a molecular weight of 421.59 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 67481289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).