3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide

C20H20N4O2S — CID 18275387

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1cc(C)c2nc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)sc2c1
InChIInChI=1S/C20H20N4O2S/c1-10-7-11(2)18-16(8-10)27-20(24-18)23-17(25)6-5-14-12(3)15(9-21)19(26)22-13(14)4/h7-8H,5-6H2,1-4H3,(H,22,26)(H,23,24,25)
InChIKeyPXDJBHNQYPDAOV-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.66
Rot. Bonds4

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 18275387) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
PubChem CID18275387
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1cc(C)c2nc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)sc2c1
InChIInChI=1S/C20H20N4O2S/c1-10-7-11(2)18-16(8-10)27-20(24-18)23-17(25)6-5-14-12(3)15(9-21)19(26)22-13(14)4/h7-8H,5-6H2,1-4H3,(H,22,26)(H,23,24,25)
InChIKeyPXDJBHNQYPDAOV-UHFFFAOYSA-N
XLogP3.66
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164773
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide
CID 35591150
N-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 18273873
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide
CID 167907220
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003492
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide
CID 46520113
N-[4-[2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide
CID 39965395
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide
CID 30848217
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 7530470
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949406
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 55483862
methyl N-[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 47299822

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide (CID 18275387) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide is Cc1cc(C)c2nc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)sc2c1.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is PXDJBHNQYPDAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-10-7-11(2)18-16(8-10)27-20(24-18)23-17(25)6-5-14-12(3)15(9-21)19(26)22-13(14)4/h7-8H,5-6H2,1-4H3,(H,22,26)(H,23,24,25).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 380.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 18275387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).