(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide

C18H18N4O3 — CID 52904218

IUPAC(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
SMILESC[C@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)NCc1cccnc1
InChIInChI=1S/C18H18N4O3/c1-13(18(24)20-11-14-4-2-8-19-10-14)12-22-17(23)7-6-15(21-22)16-5-3-9-25-16/h2-10,13H,11-12H2,1H3,(H,20,24)/t13-/m1/s1
InChIKeyMFDDXTFKNZXIRT-CYBMUJFWSA-N
MW338.37 g/mol
LogP1.85
Rot. Bonds6

About (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide

(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 52904218) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID52904218
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
SMILESC[C@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)NCc1cccnc1
InChIInChI=1S/C18H18N4O3/c1-13(18(24)20-11-14-4-2-8-19-10-14)12-22-17(23)7-6-15(21-22)16-5-3-9-25-16/h2-10,13H,11-12H2,1H3,(H,20,24)/t13-/m1/s1
InChIKeyMFDDXTFKNZXIRT-CYBMUJFWSA-N
XLogP1.85
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-methylsulfanylphenyl)propanamide
CID 52904228
(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 52904226
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228
6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 37172394
(2S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 52904213
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
3-(furan-2-yl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 1053382
6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 126473939
(2S)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpropanamide
CID 52904235
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 56723989
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 1053527
(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 110347921

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide (CID 52904218) is (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide is C[C@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)NCc1cccnc1.
What is the InChIKey of (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is MFDDXTFKNZXIRT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-13(18(24)20-11-14-4-2-8-19-10-14)12-22-17(23)7-6-15(21-22)16-5-3-9-25-16/h2-10,13H,11-12H2,1H3,(H,20,24)/t13-/m1/s1.
What are the key properties of (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 338.37 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 52904218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).