N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-(1,3-thiazol-4-yl)propanamide

C19H19N3O2S — CID 138993121

IUPACN-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-(1,3-thiazol-4-yl)propanamide
SMILESCc1ccc(Cn2cccc(NC(=O)CCc3cscn3)c2=O)cc1
InChIInChI=1S/C19H19N3O2S/c1-14-4-6-15(7-5-14)11-22-10-2-3-17(19(22)24)21-18(23)9-8-16-12-25-13-20-16/h2-7,10,12-13H,8-9,11H2,1H3,(H,21,23)
InChIKeyFJVLUIURMSVMPW-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.23
Rot. Bonds6

About N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-(1,3-thiazol-4-yl)propanamide

N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 138993121) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-(1,3-thiazol-4-yl)propanamide
PubChem CID138993121
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-(1,3-thiazol-4-yl)propanamide
SMILESCc1ccc(Cn2cccc(NC(=O)CCc3cscn3)c2=O)cc1
InChIInChI=1S/C19H19N3O2S/c1-14-4-6-15(7-5-14)11-22-10-2-3-17(19(22)24)21-18(23)9-8-16-12-25-13-20-16/h2-7,10,12-13H,8-9,11H2,1H3,(H,21,23)
InChIKeyFJVLUIURMSVMPW-UHFFFAOYSA-N
XLogP3.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-(1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-(1,3-thiazol-4-yl)propanamide (CID 138993121) is N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-(1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-(1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-(1,3-thiazol-4-yl)propanamide is Cc1ccc(Cn2cccc(NC(=O)CCc3cscn3)c2=O)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-(1,3-thiazol-4-yl)propanamide?
The InChIKey is FJVLUIURMSVMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-14-4-6-15(7-5-14)11-22-10-2-3-17(19(22)24)21-18(23)9-8-16-12-25-13-20-16/h2-7,10,12-13H,8-9,11H2,1H3,(H,21,23).
What are the key properties of N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-(1,3-thiazol-4-yl)propanamide?
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-(1,3-thiazol-4-yl)propanamide has a molecular weight of 353.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 138993121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).