3-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]propanamide

C14H15N3O3 — CID 70515718

IUPAC3-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]propanamide
SMILESCOCCC(=O)Nc1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C14H15N3O3/c1-20-9-8-13(18)15-11-4-2-10(3-5-11)12-6-7-14(19)17-16-12/h2-7H,8-9H2,1H3,(H,15,18)(H,17,19)
InChIKeyDPNFMFSDGUIHKH-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.41
Rot. Bonds5

About 3-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]propanamide

3-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]propanamide (PubChem CID 70515718) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]propanamide
PubChem CID70515718
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]propanamide
SMILESCOCCC(=O)Nc1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C14H15N3O3/c1-20-9-8-13(18)15-11-4-2-10(3-5-11)12-6-7-14(19)17-16-12/h2-7H,8-9H2,1H3,(H,15,18)(H,17,19)
InChIKeyDPNFMFSDGUIHKH-UHFFFAOYSA-N
XLogP1.41
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 70517834
2-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 70518619
2-bromoethyl N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70522133
3-chloropropyl N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70517249
1-chlorobutan-2-yl N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70517104
4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide
CID 49035162
4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 47282826
2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
CID 70518829
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 51108495
(4-chlorophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70516403
4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
CID 97183865
S-prop-2-ynyl N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamothioate
CID 88729986

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]propanamide?
The IUPAC name of 3-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]propanamide (CID 70515718) is 3-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]propanamide?
The canonical SMILES for 3-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]propanamide is COCCC(=O)Nc1ccc(-c2ccc(=O)[nH]n2)cc1.
What is the InChIKey of 3-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]propanamide?
The InChIKey is DPNFMFSDGUIHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-20-9-8-13(18)15-11-4-2-10(3-5-11)12-6-7-14(19)17-16-12/h2-7H,8-9H2,1H3,(H,15,18)(H,17,19).
What are the key properties of 3-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]propanamide?
3-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]propanamide has a molecular weight of 273.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 70515718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).