6-[1-[1-(4-chlorophenyl)-3-hydroxycyclobutanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide

C27H28ClN3O3 — CID 177171088

IUPAC6-[1-[1-(4-chlorophenyl)-3-hydroxycyclobutanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)C4(c5ccc(Cl)cc5)CC(O)C4)C3)cc2[nH]1
InChIInChI=1S/C27H28ClN3O3/c1-30(2)25(33)24-13-18-6-5-17(12-23(18)29-24)19-4-3-11-31(16-19)26(34)27(14-22(32)15-27)20-7-9-21(28)10-8-20/h4-10,12-13,22,29,32H,3,11,14-16H2,1-2H3
InChIKeyJVDHTZDMGWCWFU-UHFFFAOYSA-N
MW477.99 g/mol
LogP4.23
Rot. Bonds4

About 6-[1-[1-(4-chlorophenyl)-3-hydroxycyclobutanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide

6-[1-[1-(4-chlorophenyl)-3-hydroxycyclobutanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide (PubChem CID 177171088) has the molecular formula C27H28ClN3O3 and a molecular weight of 477.99 g/mol. Its IUPAC name is 6-[1-[1-(4-chlorophenyl)-3-hydroxycyclobutanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-[1-[1-(4-chlorophenyl)-3-hydroxycyclobutanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
PubChem CID177171088
Molecular FormulaC27H28ClN3O3
Molecular Weight477.99 g/mol
Exact Mass477.18
IUPAC Name6-[1-[1-(4-chlorophenyl)-3-hydroxycyclobutanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)C4(c5ccc(Cl)cc5)CC(O)C4)C3)cc2[nH]1
InChIInChI=1S/C27H28ClN3O3/c1-30(2)25(33)24-13-18-6-5-17(12-23(18)29-24)19-4-3-11-31(16-19)26(34)27(14-22(32)15-27)20-7-9-21(28)10-8-20/h4-10,12-13,22,29,32H,3,11,14-16H2,1-2H3
InChIKeyJVDHTZDMGWCWFU-UHFFFAOYSA-N
XLogP4.23
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.99
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177170024
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-(6-oxo-1H-pyridazine-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177171090
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
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
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
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-(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
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
6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide
CID 112843310
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

Frequently Asked Questions

What is the IUPAC name of 6-[1-[1-(4-chlorophenyl)-3-hydroxycyclobutanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of 6-[1-[1-(4-chlorophenyl)-3-hydroxycyclobutanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide (CID 177171088) is 6-[1-[1-(4-chlorophenyl)-3-hydroxycyclobutanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-[1-[1-(4-chlorophenyl)-3-hydroxycyclobutanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-[1-[1-(4-chlorophenyl)-3-hydroxycyclobutanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide is CN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)C4(c5ccc(Cl)cc5)CC(O)C4)C3)cc2[nH]1.
What is the InChIKey of 6-[1-[1-(4-chlorophenyl)-3-hydroxycyclobutanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
The InChIKey is JVDHTZDMGWCWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O3/c1-30(2)25(33)24-13-18-6-5-17(12-23(18)29-24)19-4-3-11-31(16-19)26(34)27(14-22(32)15-27)20-7-9-21(28)10-8-20/h4-10,12-13,22,29,32H,3,11,14-16H2,1-2H3.
What are the key properties of 6-[1-[1-(4-chlorophenyl)-3-hydroxycyclobutanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
6-[1-[1-(4-chlorophenyl)-3-hydroxycyclobutanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide has a molecular weight of 477.99 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[1-(4-chlorophenyl)-3-hydroxycyclobutanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 177171088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).