N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]acetamide

C19H18F2N6O2 — CID 170730314

IUPACN-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cccc(C(C)(F)F)n2)c(-c2ccc(=O)n(C)n2)cn1
InChIInChI=1S/C19H18F2N6O2/c1-11(28)23-17-9-14(24-16-6-4-5-15(25-16)19(2,20)21)12(10-22-17)13-7-8-18(29)27(3)26-13/h4-10H,1-3H3,(H2,22,23,24,25,28)
InChIKeyRXENBXHCDNDVDE-UHFFFAOYSA-N
MW400.39 g/mol
LogP3.05
Rot. Bonds5

About N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]acetamide

N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]acetamide (PubChem CID 170730314) has the molecular formula C19H18F2N6O2 and a molecular weight of 400.39 g/mol. Its IUPAC name is N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]acetamide
PubChem CID170730314
Molecular FormulaC19H18F2N6O2
Molecular Weight400.39 g/mol
Exact Mass400.15
IUPAC NameN-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cccc(C(C)(F)F)n2)c(-c2ccc(=O)n(C)n2)cn1
InChIInChI=1S/C19H18F2N6O2/c1-11(28)23-17-9-14(24-16-6-4-5-15(25-16)19(2,20)21)12(10-22-17)13-7-8-18(29)27(3)26-13/h4-10H,1-3H3,(H2,22,23,24,25,28)
InChIKeyRXENBXHCDNDVDE-UHFFFAOYSA-N
XLogP3.05
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]acetamide (CID 170730314) is N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cccc(C(C)(F)F)n2)c(-c2ccc(=O)n(C)n2)cn1.
What is the InChIKey of N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]acetamide?
The InChIKey is RXENBXHCDNDVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O2/c1-11(28)23-17-9-14(24-16-6-4-5-15(25-16)19(2,20)21)12(10-22-17)13-7-8-18(29)27(3)26-13/h4-10H,1-3H3,(H2,22,23,24,25,28).
What are the key properties of N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]acetamide?
N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]acetamide has a molecular weight of 400.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 170730314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).