6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxopyridine-3-carboxamide

C25H25N5O4S — CID 71587812

IUPAC6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(-n2c(C)c(-c3ccnn3C)cc(C(=O)NCc3ccc(S(C)(=O)=O)cn3)c2=O)c1
InChIInChI=1S/C25H25N5O4S/c1-16-6-5-7-19(12-16)30-17(2)21(23-10-11-28-29(23)3)13-22(25(30)32)24(31)27-14-18-8-9-20(15-26-18)35(4,33)34/h5-13,15H,14H2,1-4H3,(H,27,31)
InChIKeyYJEYBWGLNFHFFA-UHFFFAOYSA-N
MW491.57 g/mol
LogP2.58
Rot. Bonds6

About 6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxopyridine-3-carboxamide

6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 71587812) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is 6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID71587812
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC Name6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(-n2c(C)c(-c3ccnn3C)cc(C(=O)NCc3ccc(S(C)(=O)=O)cn3)c2=O)c1
InChIInChI=1S/C25H25N5O4S/c1-16-6-5-7-19(12-16)30-17(2)21(23-10-11-28-29(23)3)13-22(25(30)32)24(31)27-14-18-8-9-20(15-26-18)35(4,33)34/h5-13,15H,14H2,1-4H3,(H,27,31)
InChIKeyYJEYBWGLNFHFFA-UHFFFAOYSA-N
XLogP2.58
TPSA115.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxopyridine-3-carboxamide (CID 71587812) is 6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxopyridine-3-carboxamide is Cc1cccc(-n2c(C)c(-c3ccnn3C)cc(C(=O)NCc3ccc(S(C)(=O)=O)cn3)c2=O)c1.
What is the InChIKey of 6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is YJEYBWGLNFHFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c1-16-6-5-7-19(12-16)30-17(2)21(23-10-11-28-29(23)3)13-22(25(30)32)24(31)27-14-18-8-9-20(15-26-18)35(4,33)34/h5-13,15H,14H2,1-4H3,(H,27,31).
What are the key properties of 6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxopyridine-3-carboxamide?
6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 71587812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).