2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(pyridin-4-ylmethyl)acetamide

C21H22N4O4S — CID 87050645

IUPAC2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCc3ccncc3)c2=O)cc1
InChIInChI=1S/C21H22N4O4S/c1-15-3-6-18(7-4-15)30(28,29)24-19-8-5-16(2)25(21(19)27)14-20(26)23-13-17-9-11-22-12-10-17/h3-12,24H,13-14H2,1-2H3,(H,23,26)
InChIKeyPFTLRYYAYYMXHC-UHFFFAOYSA-N
MW426.50 g/mol
LogP1.98
Rot. Bonds7

About 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(pyridin-4-ylmethyl)acetamide

2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 87050645) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID87050645
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCc3ccncc3)c2=O)cc1
InChIInChI=1S/C21H22N4O4S/c1-15-3-6-18(7-4-15)30(28,29)24-19-8-5-16(2)25(21(19)27)14-20(26)23-13-17-9-11-22-12-10-17/h3-12,24H,13-14H2,1-2H3,(H,23,26)
InChIKeyPFTLRYYAYYMXHC-UHFFFAOYSA-N
XLogP1.98
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 53161501
2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
CID 53161461
N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 22178641
N-[6-methyl-1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide
CID 87050459
2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-pyridin-2-ylethyl)acetamide
CID 87050648
N-(2-methoxyphenyl)-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 53161468
4-methyl-N-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3-pyridinyl]benzenesulfonamide
CID 87050646
N-[(3,4-dichlorophenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 127029044
4-methyl-N-[6-methyl-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide
CID 95100121
N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(4-iodophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 15458228
2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetic acid
CID 12072027
2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 108997033

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(pyridin-4-ylmethyl)acetamide (CID 87050645) is 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(pyridin-4-ylmethyl)acetamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCc3ccncc3)c2=O)cc1.
What is the InChIKey of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is PFTLRYYAYYMXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-15-3-6-18(7-4-15)30(28,29)24-19-8-5-16(2)25(21(19)27)14-20(26)23-13-17-9-11-22-12-10-17/h3-12,24H,13-14H2,1-2H3,(H,23,26).
What are the key properties of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(pyridin-4-ylmethyl)acetamide?
2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 426.50 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 87050645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).