N-[3-methoxy-4-(7-oxo-3,6-dihydroimidazo[4,5-d]pyridazin-2-yl)phenyl]acetamide

C14H13N5O3 — CID 135987444

IUPACN-[3-methoxy-4-(7-oxo-3,6-dihydroimidazo[4,5-d]pyridazin-2-yl)phenyl]acetamide
SMILESCOc1cc(NC(C)=O)ccc1-c1nc2c(=O)[nH]ncc2[nH]1
InChIInChI=1S/C14H13N5O3/c1-7(20)16-8-3-4-9(11(5-8)22-2)13-17-10-6-15-19-14(21)12(10)18-13/h3-6H,1-2H3,(H,16,20)(H,17,18)(H,19,21)
InChIKeyVAFZRHVEJWQPRP-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.28
Rot. Bonds3

About N-[3-methoxy-4-(7-oxo-3,6-dihydroimidazo[4,5-d]pyridazin-2-yl)phenyl]acetamide

N-[3-methoxy-4-(7-oxo-3,6-dihydroimidazo[4,5-d]pyridazin-2-yl)phenyl]acetamide (PubChem CID 135987444) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[3-methoxy-4-(7-oxo-3,6-dihydroimidazo[4,5-d]pyridazin-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(7-oxo-3,6-dihydroimidazo[4,5-d]pyridazin-2-yl)phenyl]acetamide
PubChem CID135987444
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC NameN-[3-methoxy-4-(7-oxo-3,6-dihydroimidazo[4,5-d]pyridazin-2-yl)phenyl]acetamide
SMILESCOc1cc(NC(C)=O)ccc1-c1nc2c(=O)[nH]ncc2[nH]1
InChIInChI=1S/C14H13N5O3/c1-7(20)16-8-3-4-9(11(5-8)22-2)13-17-10-6-15-19-14(21)12(10)18-13/h3-6H,1-2H3,(H,16,20)(H,17,18)(H,19,21)
InChIKeyVAFZRHVEJWQPRP-UHFFFAOYSA-N
XLogP1.28
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide
CID 10064728
N-[4-[5-(cyclohexanecarboximidoyl)-4-(dimethylamino)-6-oxo-1H-pyrimidin-2-yl]-3-methoxyphenyl]acetamide
CID 136646496
N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 175464575
N-(5-acetamido-2-methoxyphenyl)-4-amino-1H-pyrazole-5-carboxamide
CID 63101953
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide
CID 60700393
N-(4-acetyl-3-methoxyphenyl)acetamide
CID 13221159
N-(1H-indazol-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768017
N-[4-methoxy-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide
CID 43715781
N-(1H-indazol-6-yl)-2,6-dimethoxybenzamide
CID 110731190
N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide
CID 6468296
N-(3,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 110860648
N-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide
CID 155758920

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(7-oxo-3,6-dihydroimidazo[4,5-d]pyridazin-2-yl)phenyl]acetamide?
The IUPAC name of N-[3-methoxy-4-(7-oxo-3,6-dihydroimidazo[4,5-d]pyridazin-2-yl)phenyl]acetamide (CID 135987444) is N-[3-methoxy-4-(7-oxo-3,6-dihydroimidazo[4,5-d]pyridazin-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-methoxy-4-(7-oxo-3,6-dihydroimidazo[4,5-d]pyridazin-2-yl)phenyl]acetamide?
The canonical SMILES for N-[3-methoxy-4-(7-oxo-3,6-dihydroimidazo[4,5-d]pyridazin-2-yl)phenyl]acetamide is COc1cc(NC(C)=O)ccc1-c1nc2c(=O)[nH]ncc2[nH]1.
What is the InChIKey of N-[3-methoxy-4-(7-oxo-3,6-dihydroimidazo[4,5-d]pyridazin-2-yl)phenyl]acetamide?
The InChIKey is VAFZRHVEJWQPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-7(20)16-8-3-4-9(11(5-8)22-2)13-17-10-6-15-19-14(21)12(10)18-13/h3-6H,1-2H3,(H,16,20)(H,17,18)(H,19,21).
What are the key properties of N-[3-methoxy-4-(7-oxo-3,6-dihydroimidazo[4,5-d]pyridazin-2-yl)phenyl]acetamide?
N-[3-methoxy-4-(7-oxo-3,6-dihydroimidazo[4,5-d]pyridazin-2-yl)phenyl]acetamide has a molecular weight of 299.29 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(7-oxo-3,6-dihydroimidazo[4,5-d]pyridazin-2-yl)phenyl]acetamide is sourced from PubChem (CID 135987444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).