N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3-phenylpropanamide

C19H16F2N4O — CID 113051558

IUPACN-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(Nc2c(F)cccc2F)nn1
InChIInChI=1S/C19H16F2N4O/c20-14-7-4-8-15(21)19(14)23-17-11-10-16(24-25-17)22-18(26)12-9-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H,23,25)(H,22,24,26)
InChIKeyFHMSHGPWBGRRTH-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.07
Rot. Bonds6

About N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3-phenylpropanamide

N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3-phenylpropanamide (PubChem CID 113051558) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3-phenylpropanamide
PubChem CID113051558
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC NameN-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(Nc2c(F)cccc2F)nn1
InChIInChI=1S/C19H16F2N4O/c20-14-7-4-8-15(21)19(14)23-17-11-10-16(24-25-17)22-18(26)12-9-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H,23,25)(H,22,24,26)
InChIKeyFHMSHGPWBGRRTH-UHFFFAOYSA-N
XLogP4.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide
CID 113051334
N-(6-fluoro-2-pyridinyl)-3-phenylpropanamide
CID 104820903
6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126736
N-[6-(2-fluoroanilino)pyridazin-3-yl]butanamide
CID 113047136
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113046519
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-3-phenylpropanamide
CID 113050236
6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122201
3-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 130474104
N-(2,6-difluorophenyl)-3-(3-methylphenyl)propanamide
CID 51277484
N-(6-methylsulfanylpyridazin-3-yl)-4-phenylbutanamide
CID 42172348
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113051572
2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide
CID 113044121

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3-phenylpropanamide (CID 113051558) is N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(Nc2c(F)cccc2F)nn1.
What is the InChIKey of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3-phenylpropanamide?
The InChIKey is FHMSHGPWBGRRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c20-14-7-4-8-15(21)19(14)23-17-11-10-16(24-25-17)22-18(26)12-9-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H,23,25)(H,22,24,26).
What are the key properties of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3-phenylpropanamide?
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3-phenylpropanamide has a molecular weight of 354.36 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 113051558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).