2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide

C12H10Cl2N4O2 — CID 91403681

IUPAC2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c(Cl)c1Cl)NCc1ccncc1
InChIInChI=1S/C12H10Cl2N4O2/c13-10-8(17-18-12(20)11(10)14)5-9(19)16-6-7-1-3-15-4-2-7/h1-4H,5-6H2,(H,16,19)(H,18,20)
InChIKeyKGAPGXRRWYXUQM-UHFFFAOYSA-N
MW313.14 g/mol
LogP1.33
Rot. Bonds4

About 2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide

2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 91403681) has the molecular formula C12H10Cl2N4O2 and a molecular weight of 313.14 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID91403681
Molecular FormulaC12H10Cl2N4O2
Molecular Weight313.14 g/mol
Exact Mass312.02
IUPAC Name2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c(Cl)c1Cl)NCc1ccncc1
InChIInChI=1S/C12H10Cl2N4O2/c13-10-8(17-18-12(20)11(10)14)5-9(19)16-6-7-1-3-15-4-2-7/h1-4H,5-6H2,(H,16,19)(H,18,20)
InChIKeyKGAPGXRRWYXUQM-UHFFFAOYSA-N
XLogP1.33
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)oxamide
CID 18567098
2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 45371525
N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166429063
N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17402682
3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide
CID 110701992
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
2-[5-[(4-chloroanilino)methyl]-1H-1,2,4-triazol-3-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 43831814
N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)acetamide
CID 110690817
N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 171679416
2-[3-amino-6-oxo-4-[[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]-1H-pyridazin-5-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 90924997
2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 171679450
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 91403681) is 2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide is O=C(Cc1n[nH]c(=O)c(Cl)c1Cl)NCc1ccncc1.
What is the InChIKey of 2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is KGAPGXRRWYXUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O2/c13-10-8(17-18-12(20)11(10)14)5-9(19)16-6-7-1-3-15-4-2-7/h1-4H,5-6H2,(H,16,19)(H,18,20).
What are the key properties of 2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 313.14 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 91403681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).