5-methoxy-2-methyl-N-[2-methyl-5-(1-thiophen-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide

C22H23N3O3S — CID 172660663

IUPAC5-methoxy-2-methyl-N-[2-methyl-5-(1-thiophen-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide
SMILESCOc1cnc(C)cc1C(=O)Nc1cc(C(=O)NC(C)c2ccsc2)ccc1C
InChIInChI=1S/C22H23N3O3S/c1-13-5-6-16(21(26)24-15(3)17-7-8-29-12-17)10-19(13)25-22(27)18-9-14(2)23-11-20(18)28-4/h5-12,15H,1-4H3,(H,24,26)(H,25,27)
InChIKeyZDTLGWLCFMGWHR-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.51
Rot. Bonds6

About 5-methoxy-2-methyl-N-[2-methyl-5-(1-thiophen-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide

5-methoxy-2-methyl-N-[2-methyl-5-(1-thiophen-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide (PubChem CID 172660663) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 5-methoxy-2-methyl-N-[2-methyl-5-(1-thiophen-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-methoxy-2-methyl-N-[2-methyl-5-(1-thiophen-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide
PubChem CID172660663
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name5-methoxy-2-methyl-N-[2-methyl-5-(1-thiophen-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide
SMILESCOc1cnc(C)cc1C(=O)Nc1cc(C(=O)NC(C)c2ccsc2)ccc1C
InChIInChI=1S/C22H23N3O3S/c1-13-5-6-16(21(26)24-15(3)17-7-8-29-12-17)10-19(13)25-22(27)18-9-14(2)23-11-20(18)28-4/h5-12,15H,1-4H3,(H,24,26)(H,25,27)
InChIKeyZDTLGWLCFMGWHR-UHFFFAOYSA-N
XLogP4.51
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-methyl-N-(1-thiophen-3-ylethyl)pyridin-4-amine
CID 106660484
3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856038
3-methoxy-4-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 18160597
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 18163096
3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-thiophen-3-ylethyl)benzamide
CID 81459214
N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 134013068
5-amino-2-methyl-N-(1-thiophen-3-ylethyl)benzamide
CID 55122397
3-amino-5-methoxy-N-(1-thiophen-3-ylethyl)benzamide
CID 81091006
6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 62842868
N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17326429
6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 62845141

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-N-[2-methyl-5-(1-thiophen-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 5-methoxy-2-methyl-N-[2-methyl-5-(1-thiophen-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide (CID 172660663) is 5-methoxy-2-methyl-N-[2-methyl-5-(1-thiophen-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 5-methoxy-2-methyl-N-[2-methyl-5-(1-thiophen-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 5-methoxy-2-methyl-N-[2-methyl-5-(1-thiophen-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide is COc1cnc(C)cc1C(=O)Nc1cc(C(=O)NC(C)c2ccsc2)ccc1C.
What is the InChIKey of 5-methoxy-2-methyl-N-[2-methyl-5-(1-thiophen-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide?
The InChIKey is ZDTLGWLCFMGWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-13-5-6-16(21(26)24-15(3)17-7-8-29-12-17)10-19(13)25-22(27)18-9-14(2)23-11-20(18)28-4/h5-12,15H,1-4H3,(H,24,26)(H,25,27).
What are the key properties of 5-methoxy-2-methyl-N-[2-methyl-5-(1-thiophen-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide?
5-methoxy-2-methyl-N-[2-methyl-5-(1-thiophen-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-N-[2-methyl-5-(1-thiophen-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 172660663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).