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

C25H27N5O3S — CID 39965395

IUPACN-[4-[2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)cs1
InChIInChI=1S/C25H27N5O3S/c1-14-18(15(2)27-22(32)19(14)12-26)10-11-21(31)30-24-29-20(13-34-24)16-6-8-17(9-7-16)28-23(33)25(3,4)5/h6-9,13H,10-11H2,1-5H3,(H,27,32)(H,28,33)(H,29,30,31)
InChIKeyAXQFJHROUBLVDH-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.54
Rot. Bonds6

About 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

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 (PubChem CID 39965395) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[4-[2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide
PubChem CID39965395
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC NameN-[4-[2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)cs1
InChIInChI=1S/C25H27N5O3S/c1-14-18(15(2)27-22(32)19(14)12-26)10-11-21(31)30-24-29-20(13-34-24)16-6-8-17(9-7-16)28-23(33)25(3,4)5/h6-9,13H,10-11H2,1-5H3,(H,27,32)(H,28,33)(H,29,30,31)
InChIKeyAXQFJHROUBLVDH-UHFFFAOYSA-N
XLogP4.54
TPSA127.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide
CID 112773374
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 55469439
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide
CID 41486929
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-iodophenyl)propanamide
CID 46520113
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
CID 18275387
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 135941950
N-[1-(4-chlorophenyl)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 17420582
N-[3-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630647
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)propanamide
CID 167789601
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135954920
N,N'-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]hexanediamide
CID 3376652

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)cs1.
What is the InChIKey of 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?
The InChIKey is AXQFJHROUBLVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-14-18(15(2)27-22(32)19(14)12-26)10-11-21(31)30-24-29-20(13-34-24)16-6-8-17(9-7-16)28-23(33)25(3,4)5/h6-9,13H,10-11H2,1-5H3,(H,27,32)(H,28,33)(H,29,30,31).
What are the key properties of 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?
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 has a molecular weight of 477.59 g/mol, XLogP of 4.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 39965395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).