N-[3-(dimethylamino)propyl]-4-fluoro-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide

C42H45FN10O2 — CID 157230387

IUPACN-[3-(dimethylamino)propyl]-4-fluoro-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide
SMILESCN(C)CCCN(C(=O)c1ccc(F)cc1)c1ccc(-c2ccccn2)nn1.CN(C)CCCN(C(=O)c1ccccc1)c1ccc(-c2ccccn2)nn1
InChIInChI=1S/C21H22FN5O.C21H23N5O/c1-26(2)14-5-15-27(21(28)16-7-9-17(22)10-8-16)20-12-11-19(24-25-20)18-6-3-4-13-23-18;1-25(2)15-8-16-26(21(27)17-9-4-3-5-10-17)20-13-12-19(23-24-20)18-11-6-7-14-22-18/h3-4,6-13H,5,14-15H2,1-2H3;3-7,9-14H,8,15-16H2,1-2H3
InChIKeyAUAMJIJNZYNGIW-UHFFFAOYSA-N
MW740.89 g/mol
LogP6.41
Rot. Bonds14

About N-[3-(dimethylamino)propyl]-4-fluoro-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide

N-[3-(dimethylamino)propyl]-4-fluoro-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide (PubChem CID 157230387) has the molecular formula C42H45FN10O2 and a molecular weight of 740.89 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-fluoro-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-fluoro-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide
PubChem CID157230387
Molecular FormulaC42H45FN10O2
Molecular Weight740.89 g/mol
Exact Mass740.37
IUPAC NameN-[3-(dimethylamino)propyl]-4-fluoro-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide
SMILESCN(C)CCCN(C(=O)c1ccc(F)cc1)c1ccc(-c2ccccn2)nn1.CN(C)CCCN(C(=O)c1ccccc1)c1ccc(-c2ccccn2)nn1
InChIInChI=1S/C21H22FN5O.C21H23N5O/c1-26(2)14-5-15-27(21(28)16-7-9-17(22)10-8-16)20-12-11-19(24-25-20)18-6-3-4-13-23-18;1-25(2)15-8-16-26(21(27)17-9-4-3-5-10-17)20-13-12-19(23-24-20)18-11-6-7-14-22-18/h3-4,6-13H,5,14-15H2,1-2H3;3-7,9-14H,8,15-16H2,1-2H3
InChIKeyAUAMJIJNZYNGIW-UHFFFAOYSA-N
XLogP6.41
TPSA124.44 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.89
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-[3-(dimethylamino)propyl]-4-fluoro-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide with MolForge

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Related Compounds

N-[3-(dimethylamino)propyl]-N-(2-pyridin-2-ylpyrimidin-5-yl)benzamide
CID 142517457
2-[methyl-(6-pyridin-2-ylpyridazin-3-yl)amino]acetic acid
CID 116973709
N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide
CID 35573441
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
CID 90483378
3-[[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 175701820
N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681859
(2S)-1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-(6-pyridin-2-ylpyridazin-3-yl)propane-1,2-diamine
CID 167985762
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 44922628
ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate
CID 141002175
4-benzoyl-N-methyl-N-pyridin-2-ylbenzamide
CID 51051173
N',N'-dimethyl-N-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine
CID 130251282
N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide;hydrochloride
CID 44929710

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-fluoro-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-fluoro-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide (CID 157230387) is N-[3-(dimethylamino)propyl]-4-fluoro-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-fluoro-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-fluoro-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide is CN(C)CCCN(C(=O)c1ccc(F)cc1)c1ccc(-c2ccccn2)nn1.CN(C)CCCN(C(=O)c1ccccc1)c1ccc(-c2ccccn2)nn1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-fluoro-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide?
The InChIKey is AUAMJIJNZYNGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O.C21H23N5O/c1-26(2)14-5-15-27(21(28)16-7-9-17(22)10-8-16)20-12-11-19(24-25-20)18-6-3-4-13-23-18;1-25(2)15-8-16-26(21(27)17-9-4-3-5-10-17)20-13-12-19(23-24-20)18-11-6-7-14-22-18/h3-4,6-13H,5,14-15H2,1-2H3;3-7,9-14H,8,15-16H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-4-fluoro-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide?
N-[3-(dimethylamino)propyl]-4-fluoro-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide has a molecular weight of 740.89 g/mol, XLogP of 6.41, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-fluoro-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide is sourced from PubChem (CID 157230387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).