3-(C,N-dimethylcarbonimidoyl)-N-(2,4-dimethyl-3-pyridinyl)-6-methyl-2-(4-methylsulfonylanilino)pyridine-4-carboxamide

C24H27N5O3S — CID 89369440

IUPAC3-(C,N-dimethylcarbonimidoyl)-N-(2,4-dimethyl-3-pyridinyl)-6-methyl-2-(4-methylsulfonylanilino)pyridine-4-carboxamide
SMILESC/N=C(\C)c1c(C(=O)Nc2c(C)ccnc2C)cc(C)nc1Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H27N5O3S/c1-14-11-12-26-17(4)22(14)29-24(30)20-13-15(2)27-23(21(20)16(3)25-5)28-18-7-9-19(10-8-18)33(6,31)32/h7-13H,1-6H3,(H,27,28)(H,29,30)/b25-16+
InChIKeyJNAFLUSZOVAWJK-PCLIKHOPSA-N
MW465.58 g/mol
LogP4.24
Rot. Bonds6

About 3-(C,N-dimethylcarbonimidoyl)-N-(2,4-dimethyl-3-pyridinyl)-6-methyl-2-(4-methylsulfonylanilino)pyridine-4-carboxamide

3-(C,N-dimethylcarbonimidoyl)-N-(2,4-dimethyl-3-pyridinyl)-6-methyl-2-(4-methylsulfonylanilino)pyridine-4-carboxamide (PubChem CID 89369440) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 3-(C,N-dimethylcarbonimidoyl)-N-(2,4-dimethyl-3-pyridinyl)-6-methyl-2-(4-methylsulfonylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(C,N-dimethylcarbonimidoyl)-N-(2,4-dimethyl-3-pyridinyl)-6-methyl-2-(4-methylsulfonylanilino)pyridine-4-carboxamide
PubChem CID89369440
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Name3-(C,N-dimethylcarbonimidoyl)-N-(2,4-dimethyl-3-pyridinyl)-6-methyl-2-(4-methylsulfonylanilino)pyridine-4-carboxamide
SMILESC/N=C(\C)c1c(C(=O)Nc2c(C)ccnc2C)cc(C)nc1Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H27N5O3S/c1-14-11-12-26-17(4)22(14)29-24(30)20-13-15(2)27-23(21(20)16(3)25-5)28-18-7-9-19(10-8-18)33(6,31)32/h7-13H,1-6H3,(H,27,28)(H,29,30)/b25-16+
InChIKeyJNAFLUSZOVAWJK-PCLIKHOPSA-N
XLogP4.24
TPSA113.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-anilino-N-(3,5-dimethyl-4-pyridinyl)-3-ethanimidoyl-6-methylpyridine-4-carboxamide
CID 89369436
4,6-dimethyl-2-(4-methylsulfonylanilino)pyridine-3-carbonitrile
CID 61175342
4,6-dimethyl-N-(4-methylsulfonylphenyl)pyrimidine-2-carboxamide
CID 146080206
3-fluoro-2-(4-methylsulfonylanilino)pyridine-4-carboxylic acid
CID 105381849
4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 107671551
4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide
CID 9455833
1-(4-aminophenyl)-N-(2,4-dimethyl-3-pyridinyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 89369421
2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
CID 105380278
2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 29268979
4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide
CID 67377491
N-(7-methylquinolin-8-yl)-4-methylsulfonylbenzamide
CID 164511155
2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 26362533

Frequently Asked Questions

What is the IUPAC name of 3-(C,N-dimethylcarbonimidoyl)-N-(2,4-dimethyl-3-pyridinyl)-6-methyl-2-(4-methylsulfonylanilino)pyridine-4-carboxamide?
The IUPAC name of 3-(C,N-dimethylcarbonimidoyl)-N-(2,4-dimethyl-3-pyridinyl)-6-methyl-2-(4-methylsulfonylanilino)pyridine-4-carboxamide (CID 89369440) is 3-(C,N-dimethylcarbonimidoyl)-N-(2,4-dimethyl-3-pyridinyl)-6-methyl-2-(4-methylsulfonylanilino)pyridine-4-carboxamide.
What is the SMILES notation for 3-(C,N-dimethylcarbonimidoyl)-N-(2,4-dimethyl-3-pyridinyl)-6-methyl-2-(4-methylsulfonylanilino)pyridine-4-carboxamide?
The canonical SMILES for 3-(C,N-dimethylcarbonimidoyl)-N-(2,4-dimethyl-3-pyridinyl)-6-methyl-2-(4-methylsulfonylanilino)pyridine-4-carboxamide is C/N=C(\C)c1c(C(=O)Nc2c(C)ccnc2C)cc(C)nc1Nc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-(C,N-dimethylcarbonimidoyl)-N-(2,4-dimethyl-3-pyridinyl)-6-methyl-2-(4-methylsulfonylanilino)pyridine-4-carboxamide?
The InChIKey is JNAFLUSZOVAWJK-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-14-11-12-26-17(4)22(14)29-24(30)20-13-15(2)27-23(21(20)16(3)25-5)28-18-7-9-19(10-8-18)33(6,31)32/h7-13H,1-6H3,(H,27,28)(H,29,30)/b25-16+.
What are the key properties of 3-(C,N-dimethylcarbonimidoyl)-N-(2,4-dimethyl-3-pyridinyl)-6-methyl-2-(4-methylsulfonylanilino)pyridine-4-carboxamide?
3-(C,N-dimethylcarbonimidoyl)-N-(2,4-dimethyl-3-pyridinyl)-6-methyl-2-(4-methylsulfonylanilino)pyridine-4-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(C,N-dimethylcarbonimidoyl)-N-(2,4-dimethyl-3-pyridinyl)-6-methyl-2-(4-methylsulfonylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 89369440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).