4-[6-[5-[[2-(difluoromethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide

C24H19F2N7O2 — CID 170100795

IUPAC4-[6-[5-[[2-(difluoromethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cnnc(-c3cc(NC(=O)c4ccnc(C(F)F)c4)cnc3C)c2)ccn1
InChIInChI=1S/C24H19F2N7O2/c1-13-18(10-17(12-30-13)32-23(34)15-4-6-28-20(8-15)22(25)26)19-9-16(11-31-33-19)14-3-5-29-21(7-14)24(35)27-2/h3-12,22H,1-2H3,(H,27,35)(H,32,34)
InChIKeyVVMSQBLVEXEYHN-UHFFFAOYSA-N
MW475.46 g/mol
LogP3.85
Rot. Bonds6

About 4-[6-[5-[[2-(difluoromethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide

4-[6-[5-[[2-(difluoromethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide (PubChem CID 170100795) has the molecular formula C24H19F2N7O2 and a molecular weight of 475.46 g/mol. Its IUPAC name is 4-[6-[5-[[2-(difluoromethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[6-[5-[[2-(difluoromethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide
PubChem CID170100795
Molecular FormulaC24H19F2N7O2
Molecular Weight475.46 g/mol
Exact Mass475.16
IUPAC Name4-[6-[5-[[2-(difluoromethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cnnc(-c3cc(NC(=O)c4ccnc(C(F)F)c4)cnc3C)c2)ccn1
InChIInChI=1S/C24H19F2N7O2/c1-13-18(10-17(12-30-13)32-23(34)15-4-6-28-20(8-15)22(25)26)19-9-16(11-31-33-19)14-3-5-29-21(7-14)24(35)27-2/h3-12,22H,1-2H3,(H,27,35)(H,32,34)
InChIKeyVVMSQBLVEXEYHN-UHFFFAOYSA-N
XLogP3.85
TPSA122.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-[[2-(difluoromethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[6-[5-[[2-(difluoromethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide (CID 170100795) is 4-[6-[5-[[2-(difluoromethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[6-[5-[[2-(difluoromethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[6-[5-[[2-(difluoromethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(-c2cnnc(-c3cc(NC(=O)c4ccnc(C(F)F)c4)cnc3C)c2)ccn1.
What is the InChIKey of 4-[6-[5-[[2-(difluoromethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is VVMSQBLVEXEYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N7O2/c1-13-18(10-17(12-30-13)32-23(34)15-4-6-28-20(8-15)22(25)26)19-9-16(11-31-33-19)14-3-5-29-21(7-14)24(35)27-2/h3-12,22H,1-2H3,(H,27,35)(H,32,34).
What are the key properties of 4-[6-[5-[[2-(difluoromethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide?
4-[6-[5-[[2-(difluoromethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 475.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-[[2-(difluoromethyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 170100795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).