6-[1-(4-benzylmorpholine-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;ethane;6-[1-[(2S)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;molecular hydrogen

C₅₈H₇₁FN₈O₆ — CID 177172056

About 6-[1-(4-benzylmorpholine-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;ethane;6-[1-[(2S)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;molecular hydrogen

6-[1-(4-benzylmorpholine-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;ethane;6-[1-[(2S)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;molecular hydrogen (PubChem CID 177172056) has the molecular formula C₅₈H₇₁FN₈O₆ and a molecular weight of 995.25 g/mol. Its IUPAC name is 6-[1-(4-benzylmorpholine-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;ethane;6-[1-[(2S)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 6-[1-(4-benzylmorpholine-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;ethane;6-[1-[(2S)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;molecular hydrogen
• PubChem CID: 177172056
• Molecular Formula: C₅₈H₇₁FN₈O₆
• Molecular Weight: 995.25 g/mol
• Exact Mass: 994.55
• IUPAC Name: 6-[1-(4-benzylmorpholine-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;ethane;6-[1-[(2S)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;molecular hydrogen
• SMILES: CC.CN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)C4CN(Cc5ccccc5)CCO4)C3)cc2[nH]1.CN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)[C@@H]4CCCN4C(=O)c4ccc(F)cc4)C3)cc2[nH]1.[H][H].[H][H]
• InChI: InChI=1S/C28H29FN4O3.C28H32N4O3.C2H6.2H2/c1-31(2)27(35)24-16-20-8-7-19(15-23(20)30-24)21-5-3-13-32(17-21)28(36)25-6-4-14-33(25)26(34)18-9-11-22(29)12-10-18;1-30(2)27(33)25-16-22-11-10-21(15-24(22)29-25)23-9-6-12-32(18-23)28(34)26-19-31(13-14-35-26)17-20-7-4-3-5-8-20;1-2;;/h5,7-12,15-16,25,30H,3-4,6,13-14,17H2,1-2H3;3-5,7-11,15-16,26,29H,6,12-14,17-19H2,1-2H3;1-2H3;2*1H/t25-;;;;/m0..../s1
• InChIKey: SPDZLFMUVVGHTM-OFIHFMIUSA-N
• XLogP: 8.83
• TPSA: 145.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	995.25
LogP ≤ 5	8.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-benzylmorpholine-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;ethane;6-[1-[(2S)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;molecular hydrogen?

The IUPAC name of 6-[1-(4-benzylmorpholine-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;ethane;6-[1-[(2S)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;molecular hydrogen (CID 177172056) is 6-[1-(4-benzylmorpholine-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;ethane;6-[1-[(2S)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;molecular hydrogen.

What is the SMILES notation for 6-[1-(4-benzylmorpholine-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;ethane;6-[1-[(2S)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;molecular hydrogen?

The canonical SMILES for 6-[1-(4-benzylmorpholine-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;ethane;6-[1-[(2S)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;molecular hydrogen is CC.CN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)C4CN(Cc5ccccc5)CCO4)C3)cc2[nH]1.CN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)[C@@H]4CCCN4C(=O)c4ccc(F)cc4)C3)cc2[nH]1.[H][H].[H][H].

What is the InChIKey of 6-[1-(4-benzylmorpholine-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;ethane;6-[1-[(2S)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;molecular hydrogen?

The InChIKey is SPDZLFMUVVGHTM-OFIHFMIUSA-N. The full InChI is InChI=1S/C28H29FN4O3.C28H32N4O3.C2H6.2H2/c1-31(2)27(35)24-16-20-8-7-19(15-23(20)30-24)21-5-3-13-32(17-21)28(36)25-6-4-14-33(25)26(34)18-9-11-22(29)12-10-18;1-30(2)27(33)25-16-22-11-10-21(15-24(22)29-25)23-9-6-12-32(18-23)28(34)26-19-31(13-14-35-26)17-20-7-4-3-5-8-20;1-2;;/h5,7-12,15-16,25,30H,3-4,6,13-14,17H2,1-2H3;3-5,7-11,15-16,26,29H,6,12-14,17-19H2,1-2H3;1-2H3;2*1H/t25-;;;;/m0..../s1.

What are the key properties of 6-[1-(4-benzylmorpholine-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;ethane;6-[1-[(2S)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;molecular hydrogen?

6-[1-(4-benzylmorpholine-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;ethane;6-[1-[(2S)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;molecular hydrogen has a molecular weight of 995.25 g/mol, XLogP of 8.83, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(4-benzylmorpholine-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;ethane;6-[1-[(2S)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 177172056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177172056 — identifiers, structure, computed properties (public domain)

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