N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide

C24H20F2N6O — CID 118500228

IUPACN-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(-c3cccnn3)nc2)cnc1-c1ccnc(C(C)(F)F)c1
InChIInChI=1S/C24H20F2N6O/c1-15-10-16(12-29-22(15)17-7-9-27-21(11-17)24(2,25)26)13-30-23(33)18-5-6-19(28-14-18)20-4-3-8-31-32-20/h3-12,14H,13H2,1-2H3,(H,30,33)
InChIKeyNDMGLZYOVYQYTM-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.35
Rot. Bonds6

About N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide

N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide (PubChem CID 118500228) has the molecular formula C24H20F2N6O and a molecular weight of 446.46 g/mol. Its IUPAC name is N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide
PubChem CID118500228
Molecular FormulaC24H20F2N6O
Molecular Weight446.46 g/mol
Exact Mass446.17
IUPAC NameN-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(-c3cccnn3)nc2)cnc1-c1ccnc(C(C)(F)F)c1
InChIInChI=1S/C24H20F2N6O/c1-15-10-16(12-29-22(15)17-7-9-27-21(11-17)24(2,25)26)13-30-23(33)18-5-6-19(28-14-18)20-4-3-8-31-32-20/h3-12,14H,13H2,1-2H3,(H,30,33)
InChIKeyNDMGLZYOVYQYTM-UHFFFAOYSA-N
XLogP4.35
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide?
The IUPAC name of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide (CID 118500228) is N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide is Cc1cc(CNC(=O)c2ccc(-c3cccnn3)nc2)cnc1-c1ccnc(C(C)(F)F)c1.
What is the InChIKey of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide?
The InChIKey is NDMGLZYOVYQYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O/c1-15-10-16(12-29-22(15)17-7-9-27-21(11-17)24(2,25)26)13-30-23(33)18-5-6-19(28-14-18)20-4-3-8-31-32-20/h3-12,14H,13H2,1-2H3,(H,30,33).
What are the key properties of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide?
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide has a molecular weight of 446.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 118500228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).