5-[[2-(difluoromethyl)-5-methylpyrazole-3-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide

C20H20F2N6O2 — CID 167512507

IUPAC5-[[2-(difluoromethyl)-5-methylpyrazole-3-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c2cc(C)nn2C(F)F)c1
InChIInChI=1S/C20H20F2N6O2/c1-11-6-4-5-7-14(11)25-17-15(9-13(10-24-17)18(29)23-3)26-19(30)16-8-12(2)27-28(16)20(21)22/h4-10,20H,1-3H3,(H,23,29)(H,24,25)(H,26,30)
InChIKeyOTQJFZVDTOSIFP-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.65
Rot. Bonds6

About 5-[[2-(difluoromethyl)-5-methylpyrazole-3-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide

5-[[2-(difluoromethyl)-5-methylpyrazole-3-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide (PubChem CID 167512507) has the molecular formula C20H20F2N6O2 and a molecular weight of 414.42 g/mol. Its IUPAC name is 5-[[2-(difluoromethyl)-5-methylpyrazole-3-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-(difluoromethyl)-5-methylpyrazole-3-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
PubChem CID167512507
Molecular FormulaC20H20F2N6O2
Molecular Weight414.42 g/mol
Exact Mass414.16
IUPAC Name5-[[2-(difluoromethyl)-5-methylpyrazole-3-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c2cc(C)nn2C(F)F)c1
InChIInChI=1S/C20H20F2N6O2/c1-11-6-4-5-7-14(11)25-17-15(9-13(10-24-17)18(29)23-3)26-19(30)16-8-12(2)27-28(16)20(21)22/h4-10,20H,1-3H3,(H,23,29)(H,24,25)(H,26,30)
InChIKeyOTQJFZVDTOSIFP-UHFFFAOYSA-N
XLogP3.65
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(difluoromethyl)-5-methylpyrazole-3-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide?
The IUPAC name of 5-[[2-(difluoromethyl)-5-methylpyrazole-3-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide (CID 167512507) is 5-[[2-(difluoromethyl)-5-methylpyrazole-3-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 5-[[2-(difluoromethyl)-5-methylpyrazole-3-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for 5-[[2-(difluoromethyl)-5-methylpyrazole-3-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c2cc(C)nn2C(F)F)c1.
What is the InChIKey of 5-[[2-(difluoromethyl)-5-methylpyrazole-3-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide?
The InChIKey is OTQJFZVDTOSIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O2/c1-11-6-4-5-7-14(11)25-17-15(9-13(10-24-17)18(29)23-3)26-19(30)16-8-12(2)27-28(16)20(21)22/h4-10,20H,1-3H3,(H,23,29)(H,24,25)(H,26,30).
What are the key properties of 5-[[2-(difluoromethyl)-5-methylpyrazole-3-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide?
5-[[2-(difluoromethyl)-5-methylpyrazole-3-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide has a molecular weight of 414.42 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(difluoromethyl)-5-methylpyrazole-3-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 167512507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).