4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)butanamide

C21H24N4O2S — CID 110222194

IUPAC4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)butanamide
SMILESCc1cc(C)n(CCCC(=O)NC(Cc2ccsc2)c2ccccn2)c(=O)n1
InChIInChI=1S/C21H24N4O2S/c1-15-12-16(2)25(21(27)23-15)10-5-7-20(26)24-19(13-17-8-11-28-14-17)18-6-3-4-9-22-18/h3-4,6,8-9,11-12,14,19H,5,7,10,13H2,1-2H3,(H,24,26)
InChIKeyRAXHVOHDNIHUKJ-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.20
Rot. Bonds8

About 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)butanamide

4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)butanamide (PubChem CID 110222194) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)butanamide.

Molecular Properties

Compound Name4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)butanamide
PubChem CID110222194
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)butanamide
SMILESCc1cc(C)n(CCCC(=O)NC(Cc2ccsc2)c2ccccn2)c(=O)n1
InChIInChI=1S/C21H24N4O2S/c1-15-12-16(2)25(21(27)23-15)10-5-7-20(26)24-19(13-17-8-11-28-14-17)18-6-3-4-9-22-18/h3-4,6,8-9,11-12,14,19H,5,7,10,13H2,1-2H3,(H,24,26)
InChIKeyRAXHVOHDNIHUKJ-UHFFFAOYSA-N
XLogP3.20
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxy-1,2-oxazol-5-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)propanamide
CID 110222177
4-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide
CID 46955487
N-[(1S)-1-pyridin-2-yl-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 92577329
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide
CID 96550907
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-2-thiophen-3-ylacetamide
CID 125446493
2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)acetamide
CID 110222191
4-(2-methylimidazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide
CID 92565850
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide
CID 56791179
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide
CID 86956430
2-(butylamino)-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide;dihydrochloride
CID 21293880
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 35943267
3-(1-methylbenzimidazol-2-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
CID 110221863

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)butanamide?
The IUPAC name of 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)butanamide (CID 110222194) is 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)butanamide.
What is the SMILES notation for 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)butanamide?
The canonical SMILES for 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)butanamide is Cc1cc(C)n(CCCC(=O)NC(Cc2ccsc2)c2ccccn2)c(=O)n1.
What is the InChIKey of 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)butanamide?
The InChIKey is RAXHVOHDNIHUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-15-12-16(2)25(21(27)23-15)10-5-7-20(26)24-19(13-17-8-11-28-14-17)18-6-3-4-9-22-18/h3-4,6,8-9,11-12,14,19H,5,7,10,13H2,1-2H3,(H,24,26).
What are the key properties of 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)butanamide?
4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)butanamide has a molecular weight of 396.52 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)butanamide is sourced from PubChem (CID 110222194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).