N-[[4-[3-(3-fluorophenyl)propanoyl]morpholin-3-yl]methyl]pyridazine-3-carboxamide

C19H21FN4O3 — CID 166402387

IUPACN-[[4-[3-(3-fluorophenyl)propanoyl]morpholin-3-yl]methyl]pyridazine-3-carboxamide
SMILESO=C(NCC1COCCN1C(=O)CCc1cccc(F)c1)c1cccnn1
InChIInChI=1S/C19H21FN4O3/c20-15-4-1-3-14(11-15)6-7-18(25)24-9-10-27-13-16(24)12-21-19(26)17-5-2-8-22-23-17/h1-5,8,11,16H,6-7,9-10,12-13H2,(H,21,26)
InChIKeyICIQVFNFUJVFCO-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.21
Rot. Bonds6

About N-[[4-[3-(3-fluorophenyl)propanoyl]morpholin-3-yl]methyl]pyridazine-3-carboxamide

N-[[4-[3-(3-fluorophenyl)propanoyl]morpholin-3-yl]methyl]pyridazine-3-carboxamide (PubChem CID 166402387) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[[4-[3-(3-fluorophenyl)propanoyl]morpholin-3-yl]methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[3-(3-fluorophenyl)propanoyl]morpholin-3-yl]methyl]pyridazine-3-carboxamide
PubChem CID166402387
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC NameN-[[4-[3-(3-fluorophenyl)propanoyl]morpholin-3-yl]methyl]pyridazine-3-carboxamide
SMILESO=C(NCC1COCCN1C(=O)CCc1cccc(F)c1)c1cccnn1
InChIInChI=1S/C19H21FN4O3/c20-15-4-1-3-14(11-15)6-7-18(25)24-9-10-27-13-16(24)12-21-19(26)17-5-2-8-22-23-17/h1-5,8,11,16H,6-7,9-10,12-13H2,(H,21,26)
InChIKeyICIQVFNFUJVFCO-UHFFFAOYSA-N
XLogP1.21
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide
CID 90456741
N-[(2S)-1-(cyanomethylamino)-1-oxo-3-(3-pyridazin-3-ylphenyl)propan-2-yl]benzamide
CID 45272752
4-fluoro-N-(2-oxo-2-(phenyl(pyridazin-3-yl)methylamino)ethyl)benzamide
CID 44578960
US10689345, Example 67
CID 122590485
N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide
CID 155555793
US11053198, Example 67
CID 122598163
5-cyclopropyl-N-{1-[(1S)-1-phenylethyl]azetidin-3-yl}pyridazine-3-carboxamide
CID 132219928
N-(1-benzylazetidin-3-yl)-5-cyclopropylpyridazine-3-carboxamide
CID 132219934
(R)-N-(1-cyanopyrrolidin-3-yl)-5-phenylpyridazine-3-carboxamide
CID 146676341
N,N-dimethyl-1-{4-[1-(3-pyridazinylcarbonyl)-2-piperidinyl]phenyl}methanamine
CID 70758193
[(2S)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-pyridazin-3-ylmethanone
CID 96400163
(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridazin-4-ylprop-2-enamide
CID 134227241

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(3-fluorophenyl)propanoyl]morpholin-3-yl]methyl]pyridazine-3-carboxamide?
The IUPAC name of N-[[4-[3-(3-fluorophenyl)propanoyl]morpholin-3-yl]methyl]pyridazine-3-carboxamide (CID 166402387) is N-[[4-[3-(3-fluorophenyl)propanoyl]morpholin-3-yl]methyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[[4-[3-(3-fluorophenyl)propanoyl]morpholin-3-yl]methyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[[4-[3-(3-fluorophenyl)propanoyl]morpholin-3-yl]methyl]pyridazine-3-carboxamide is O=C(NCC1COCCN1C(=O)CCc1cccc(F)c1)c1cccnn1.
What is the InChIKey of N-[[4-[3-(3-fluorophenyl)propanoyl]morpholin-3-yl]methyl]pyridazine-3-carboxamide?
The InChIKey is ICIQVFNFUJVFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c20-15-4-1-3-14(11-15)6-7-18(25)24-9-10-27-13-16(24)12-21-19(26)17-5-2-8-22-23-17/h1-5,8,11,16H,6-7,9-10,12-13H2,(H,21,26).
What are the key properties of N-[[4-[3-(3-fluorophenyl)propanoyl]morpholin-3-yl]methyl]pyridazine-3-carboxamide?
N-[[4-[3-(3-fluorophenyl)propanoyl]morpholin-3-yl]methyl]pyridazine-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(3-fluorophenyl)propanoyl]morpholin-3-yl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 166402387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).