6-ethyl-5-methyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide

C21H20N4O2S — CID 46970234

IUPAC6-ethyl-5-methyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1[nH]c(=O)c(C(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)cc1C
InChIInChI=1S/C21H20N4O2S/c1-4-15-11(2)9-14(19(26)23-15)20(27)25-21-24-17(10-28-21)18-12(3)22-16-8-6-5-7-13(16)18/h5-10,22H,4H2,1-3H3,(H,23,26)(H,24,25,27)
InChIKeyIUPQEKVZYDPKNH-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.41
Rot. Bonds4

About 6-ethyl-5-methyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide

6-ethyl-5-methyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 46970234) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 6-ethyl-5-methyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-5-methyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID46970234
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name6-ethyl-5-methyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1[nH]c(=O)c(C(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)cc1C
InChIInChI=1S/C21H20N4O2S/c1-4-15-11(2)9-14(19(26)23-15)20(27)25-21-24-17(10-28-21)18-12(3)22-16-8-6-5-7-13(16)18/h5-10,22H,4H2,1-3H3,(H,23,26)(H,24,25,27)
InChIKeyIUPQEKVZYDPKNH-UHFFFAOYSA-N
XLogP4.41
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 26177070
3,3-dimethyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]butanamide
CID 75401712
2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide
CID 7901259
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24608215
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 24568913
2-(1-benzofuran-2-yl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 166057991
2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 86935773
2,6-difluoro-N-[(2S)-3-methyl-1-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide
CID 24568899
3-imidazol-1-yl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide
CID 86967511
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135987755
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 39768680
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride
CID 146052089

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-ethyl-5-methyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 46970234) is 6-ethyl-5-methyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-ethyl-5-methyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-ethyl-5-methyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide is CCc1[nH]c(=O)c(C(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)cc1C.
What is the InChIKey of 6-ethyl-5-methyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IUPQEKVZYDPKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-4-15-11(2)9-14(19(26)23-15)20(27)25-21-24-17(10-28-21)18-12(3)22-16-8-6-5-7-13(16)18/h5-10,22H,4H2,1-3H3,(H,23,26)(H,24,25,27).
What are the key properties of 6-ethyl-5-methyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
6-ethyl-5-methyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 46970234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).