6-[1-[(1R,3S)-3-[5-[2-[2-(dimethylamino)acetyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide

C40H46N6O4 — CID 177171516

IUPAC6-[1-[(1R,3S)-3-[5-[2-[2-(dimethylamino)acetyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCN(C)CC(=O)c1cc2ccc(C3=CCCN(C(=O)[C@H]4CC[C@@H](C(=O)N5CCC=C(c6ccc7cc(C(=O)N(C)C)[nH]c7c6)C5)C4)C3)cc2[nH]1
InChIInChI=1S/C40H46N6O4/c1-43(2)24-37(47)35-20-27-11-9-25(18-33(27)41-35)31-7-5-15-45(22-31)38(48)29-13-14-30(17-29)39(49)46-16-6-8-32(23-46)26-10-12-28-21-36(40(50)44(3)4)42-34(28)19-26/h7-12,18-21,29-30,41-42H,5-6,13-17,22-24H2,1-4H3/t29-,30+/m0/s1
InChIKeyUAMCCBJDUKWHPA-XZWHSSHBSA-N
MW674.85 g/mol
LogP5.44
Rot. Bonds8

About 6-[1-[(1R,3S)-3-[5-[2-[2-(dimethylamino)acetyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide

6-[1-[(1R,3S)-3-[5-[2-[2-(dimethylamino)acetyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide (PubChem CID 177171516) has the molecular formula C40H46N6O4 and a molecular weight of 674.85 g/mol. Its IUPAC name is 6-[1-[(1R,3S)-3-[5-[2-[2-(dimethylamino)acetyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-[1-[(1R,3S)-3-[5-[2-[2-(dimethylamino)acetyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
PubChem CID177171516
Molecular FormulaC40H46N6O4
Molecular Weight674.85 g/mol
Exact Mass674.36
IUPAC Name6-[1-[(1R,3S)-3-[5-[2-[2-(dimethylamino)acetyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCN(C)CC(=O)c1cc2ccc(C3=CCCN(C(=O)[C@H]4CC[C@@H](C(=O)N5CCC=C(c6ccc7cc(C(=O)N(C)C)[nH]c7c6)C5)C4)C3)cc2[nH]1
InChIInChI=1S/C40H46N6O4/c1-43(2)24-37(47)35-20-27-11-9-25(18-33(27)41-35)31-7-5-15-45(22-31)38(48)29-13-14-30(17-29)39(49)46-16-6-8-32(23-46)26-10-12-28-21-36(40(50)44(3)4)42-34(28)19-26/h7-12,18-21,29-30,41-42H,5-6,13-17,22-24H2,1-4H3/t29-,30+/m0/s1
InChIKeyUAMCCBJDUKWHPA-XZWHSSHBSA-N
XLogP5.44
TPSA112.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.85
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[1-[(1R,3S)-3-[5-[2-[2-(dimethylamino)acetyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

N,N-dimethyl-6-[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177170024
6-[1-[(2S)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 177172057
6-[1-[(2R)-3-hydroxy-2-phenylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 177171149
N,N-dimethyl-6-[1-(3-phenyl-1,4,2-dioxazole-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177170585
N,N-dimethyl-6-[1-[3-(5-methyltriazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177169921
6-[1-(1-cyanocyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 177172124
N,N-dimethyl-6-[1-(6-oxo-1H-pyridazine-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177171090
6-[1-[1-(4-chlorophenyl)-3-hydroxycyclobutanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 177171088
6-[1-[(3R)-1-[[3-[4-[3-[5-[2-(dimethylcarbamoyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-6-oxopiperidin-3-yl]phenyl]phenyl]methyl]-5-oxopyrrolidine-3-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 177172134
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
5-[1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 177171483
N,N-dimethyl-6-[6-(8-oxo-4-oxaspiro[2.5]octan-6-yl)cyclohepten-1-yl]-1H-indole-2-carboxamide;molecular hydrogen
CID 177172078

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(1R,3S)-3-[5-[2-[2-(dimethylamino)acetyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of 6-[1-[(1R,3S)-3-[5-[2-[2-(dimethylamino)acetyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide (CID 177171516) is 6-[1-[(1R,3S)-3-[5-[2-[2-(dimethylamino)acetyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-[1-[(1R,3S)-3-[5-[2-[2-(dimethylamino)acetyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-[1-[(1R,3S)-3-[5-[2-[2-(dimethylamino)acetyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide is CN(C)CC(=O)c1cc2ccc(C3=CCCN(C(=O)[C@H]4CC[C@@H](C(=O)N5CCC=C(c6ccc7cc(C(=O)N(C)C)[nH]c7c6)C5)C4)C3)cc2[nH]1.
What is the InChIKey of 6-[1-[(1R,3S)-3-[5-[2-[2-(dimethylamino)acetyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
The InChIKey is UAMCCBJDUKWHPA-XZWHSSHBSA-N. The full InChI is InChI=1S/C40H46N6O4/c1-43(2)24-37(47)35-20-27-11-9-25(18-33(27)41-35)31-7-5-15-45(22-31)38(48)29-13-14-30(17-29)39(49)46-16-6-8-32(23-46)26-10-12-28-21-36(40(50)44(3)4)42-34(28)19-26/h7-12,18-21,29-30,41-42H,5-6,13-17,22-24H2,1-4H3/t29-,30+/m0/s1.
What are the key properties of 6-[1-[(1R,3S)-3-[5-[2-[2-(dimethylamino)acetyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
6-[1-[(1R,3S)-3-[5-[2-[2-(dimethylamino)acetyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide has a molecular weight of 674.85 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(1R,3S)-3-[5-[2-[2-(dimethylamino)acetyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 177171516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).