2-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

C22H23N5OS — CID 58279011

IUPAC2-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESCN(C)CCCc1ccc(C2=Nc3c(cccc3C(=O)Nc3nccs3)C2)cn1
InChIInChI=1S/C22H23N5OS/c1-27(2)11-4-6-17-9-8-16(14-24-17)19-13-15-5-3-7-18(20(15)25-19)21(28)26-22-23-10-12-29-22/h3,5,7-10,12,14H,4,6,11,13H2,1-2H3,(H,23,26,28)
InChIKeyXEIAJAQAWJFTFN-UHFFFAOYSA-N
MW405.53 g/mol
LogP3.96
Rot. Bonds7

About 2-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

2-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (PubChem CID 58279011) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is 2-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.

Molecular Properties

Compound Name2-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
PubChem CID58279011
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC Name2-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESCN(C)CCCc1ccc(C2=Nc3c(cccc3C(=O)Nc3nccs3)C2)cn1
InChIInChI=1S/C22H23N5OS/c1-27(2)11-4-6-17-9-8-16(14-24-17)19-13-15-5-3-7-18(20(15)25-19)21(28)26-22-23-10-12-29-22/h3,5,7-10,12,14H,4,6,11,13H2,1-2H3,(H,23,26,28)
InChIKeyXEIAJAQAWJFTFN-UHFFFAOYSA-N
XLogP3.96
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-pyridin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58279305
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]-3H-indole-7-carboxamide
CID 58278699
2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58278747
2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58279339
2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58278966
2,3-difluoro-N-(1,3-thiazol-2-yl)benzamide
CID 62650804
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
CID 58278852
3-bromo-N-[3-(dimethylamino)propyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 42771443
potassium;2-(5-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;1-methanidylpyrrolidine;2-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine;trifluoroborane
CID 160800996
3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 143922390
2-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-2-yl)benzamide
CID 110464702
2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295168

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The IUPAC name of 2-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (CID 58279011) is 2-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.
What is the SMILES notation for 2-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The canonical SMILES for 2-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is CN(C)CCCc1ccc(C2=Nc3c(cccc3C(=O)Nc3nccs3)C2)cn1.
What is the InChIKey of 2-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The InChIKey is XEIAJAQAWJFTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-27(2)11-4-6-17-9-8-16(14-24-17)19-13-15-5-3-7-18(20(15)25-19)21(28)26-22-23-10-12-29-22/h3,5,7-10,12,14H,4,6,11,13H2,1-2H3,(H,23,26,28).
What are the key properties of 2-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
2-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide has a molecular weight of 405.53 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is sourced from PubChem (CID 58279011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).