N,N,2,5-tetramethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-4-carboxamide

C22H24N4O2S — CID 67834298

IUPACN,N,2,5-tetramethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-4-carboxamide
SMILESCc1ccc2[nH]c(C)c(C(=O)C3CSN(c4cccnc4)C3)c2c1C(=O)N(C)C
InChIInChI=1S/C22H24N4O2S/c1-13-7-8-17-20(18(13)22(28)25(3)4)19(14(2)24-17)21(27)15-11-26(29-12-15)16-6-5-9-23-10-16/h5-10,15,24H,11-12H2,1-4H3
InChIKeyFYBFCTJZILZYIW-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.85
Rot. Bonds4

About N,N,2,5-tetramethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-4-carboxamide

N,N,2,5-tetramethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-4-carboxamide (PubChem CID 67834298) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N,N,2,5-tetramethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN,N,2,5-tetramethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-4-carboxamide
PubChem CID67834298
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN,N,2,5-tetramethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-4-carboxamide
SMILESCc1ccc2[nH]c(C)c(C(=O)C3CSN(c4cccnc4)C3)c2c1C(=O)N(C)C
InChIInChI=1S/C22H24N4O2S/c1-13-7-8-17-20(18(13)22(28)25(3)4)19(14(2)24-17)21(27)15-11-26(29-12-15)16-6-5-9-23-10-16/h5-10,15,24H,11-12H2,1-4H3
InChIKeyFYBFCTJZILZYIW-UHFFFAOYSA-N
XLogP3.85
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxamide
CID 67834345
ethyl 2-[3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indol-2-yl]acetate
CID 67835010
tert-butyl 3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxylate
CID 67834234
4-[2-(dimethylcarbamoyl)-6-phenylmethoxy-1H-indole-3-carbonyl]-2-pyridin-3-yl-1,2-thiazolidine-3-carboxamide
CID 67835593
(2,5-dimethyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
CID 10246465
(2,5-dimethyl-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone
CID 57113167
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
tert-butyl 4-(2-methyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate
CID 57053887
1-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 51063831
3-[(3S,4R)-3-formyl-2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl]-N,N-dimethylindole-1-carboxamide
CID 18658579
3-[(3S,4S)-3-formyl-2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl]-N,N-dimethylindole-1-carboxamide
CID 18658581

Frequently Asked Questions

What is the IUPAC name of N,N,2,5-tetramethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-4-carboxamide?
The IUPAC name of N,N,2,5-tetramethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-4-carboxamide (CID 67834298) is N,N,2,5-tetramethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-4-carboxamide.
What is the SMILES notation for N,N,2,5-tetramethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-4-carboxamide?
The canonical SMILES for N,N,2,5-tetramethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-4-carboxamide is Cc1ccc2[nH]c(C)c(C(=O)C3CSN(c4cccnc4)C3)c2c1C(=O)N(C)C.
What is the InChIKey of N,N,2,5-tetramethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-4-carboxamide?
The InChIKey is FYBFCTJZILZYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-13-7-8-17-20(18(13)22(28)25(3)4)19(14(2)24-17)21(27)15-11-26(29-12-15)16-6-5-9-23-10-16/h5-10,15,24H,11-12H2,1-4H3.
What are the key properties of N,N,2,5-tetramethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-4-carboxamide?
N,N,2,5-tetramethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-4-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,5-tetramethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-4-carboxamide is sourced from PubChem (CID 67834298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).