N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide

C24H26N4O2S — CID 1459077

IUPACN-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1sc(NC(=O)c2ccncc2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C
InChIInChI=1S/C24H26N4O2S/c1-15-21(26-23(31-15)27-22(30)16-7-10-25-11-8-16)18-5-6-19-17(13-18)9-12-28(19)20(29)14-24(2,3)4/h5-8,10-11,13H,9,12,14H2,1-4H3,(H,26,27,30)
InChIKeyGQVXZFBQIRNLPK-UHFFFAOYSA-N
MW434.57 g/mol
LogP5.09
Rot. Bonds4

About N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 1459077) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID1459077
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1sc(NC(=O)c2ccncc2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C
InChIInChI=1S/C24H26N4O2S/c1-15-21(26-23(31-15)27-22(30)16-7-10-25-11-8-16)18-5-6-19-17(13-18)9-12-28(19)20(29)14-24(2,3)4/h5-8,10-11,13H,9,12,14H2,1-4H3,(H,26,27,30)
InChIKeyGQVXZFBQIRNLPK-UHFFFAOYSA-N
XLogP5.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.57
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 1383864
3,3-dimethyl-1-[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]butan-1-one
CID 1450984
2-(azepan-1-yl)-N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
CID 1451004
N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-ylacetamide
CID 6983806
3-chloro-N-[5-methyl-4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 1458926
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 1458252
N-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 1451021
N-[4-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 5019705
ethyl 2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 43816449
N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 1450529
1-[5-[5-methyl-2-(prop-2-enylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone
CID 17453132
N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 3231828

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 1459077) is N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide is Cc1sc(NC(=O)c2ccncc2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C.
What is the InChIKey of N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is GQVXZFBQIRNLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-15-21(26-23(31-15)27-22(30)16-7-10-25-11-8-16)18-5-6-19-17(13-18)9-12-28(19)20(29)14-24(2,3)4/h5-8,10-11,13H,9,12,14H2,1-4H3,(H,26,27,30).
What are the key properties of N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 1459077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).