N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methyl-6-oxopyridazine-3-carboxamide

C14H17N3O4 — CID 111481297

IUPACN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(C(C)(O)CNC(=O)c2ccc(=O)n(C)n2)o1
InChIInChI=1S/C14H17N3O4/c1-9-4-6-11(21-9)14(2,20)8-15-13(19)10-5-7-12(18)17(3)16-10/h4-7,20H,8H2,1-3H3,(H,15,19)
InChIKeyFNKXUQZQSRHVJH-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.32
Rot. Bonds4

About N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 111481297) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID111481297
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(C(C)(O)CNC(=O)c2ccc(=O)n(C)n2)o1
InChIInChI=1S/C14H17N3O4/c1-9-4-6-11(21-9)14(2,20)8-15-13(19)10-5-7-12(18)17(3)16-10/h4-7,20H,8H2,1-3H3,(H,15,19)
InChIKeyFNKXUQZQSRHVJH-UHFFFAOYSA-N
XLogP0.32
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide
CID 111481145
2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 96521441
1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide
CID 111481472
4-bromo-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 96570496
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 111481130
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3,4-dimethylbenzamide
CID 111481218
3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111481283
1-[2-(dimethylamino)-2-methylpropyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111503988
4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide
CID 71869864
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 111481518
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
CID 126814841
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4,5-dimethylthiophene-2-carboxamide
CID 111481571

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 111481297) is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cc1ccc(C(C)(O)CNC(=O)c2ccc(=O)n(C)n2)o1.
What is the InChIKey of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is FNKXUQZQSRHVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-9-4-6-11(21-9)14(2,20)8-15-13(19)10-5-7-12(18)17(3)16-10/h4-7,20H,8H2,1-3H3,(H,15,19).
What are the key properties of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 111481297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).