N-[5-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-3-methoxy-2-pyridinyl]acetamide

C20H19ClN4O3 — CID 145260262

IUPACN-[5-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-3-methoxy-2-pyridinyl]acetamide
SMILESCOc1cc(-c2cc(C)c(=O)n(Cc3ccc(Cl)cc3)n2)cnc1NC(C)=O
InChIInChI=1S/C20H19ClN4O3/c1-12-8-17(15-9-18(28-3)19(22-10-15)23-13(2)26)24-25(20(12)27)11-14-4-6-16(21)7-5-14/h4-10H,11H2,1-3H3,(H,22,23,26)
InChIKeyVBBWNSHYACYOCO-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.28
Rot. Bonds5

About N-[5-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-3-methoxy-2-pyridinyl]acetamide

N-[5-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-3-methoxy-2-pyridinyl]acetamide (PubChem CID 145260262) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-[5-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-3-methoxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-3-methoxy-2-pyridinyl]acetamide
PubChem CID145260262
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN-[5-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-3-methoxy-2-pyridinyl]acetamide
SMILESCOc1cc(-c2cc(C)c(=O)n(Cc3ccc(Cl)cc3)n2)cnc1NC(C)=O
InChIInChI=1S/C20H19ClN4O3/c1-12-8-17(15-9-18(28-3)19(22-10-15)23-13(2)26)24-25(20(12)27)11-14-4-6-16(21)7-5-14/h4-10H,11H2,1-3H3,(H,22,23,26)
InChIKeyVBBWNSHYACYOCO-UHFFFAOYSA-N
XLogP3.28
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-3-methoxy-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-3-methoxy-2-pyridinyl]acetamide (CID 145260262) is N-[5-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-3-methoxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-3-methoxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-3-methoxy-2-pyridinyl]acetamide is COc1cc(-c2cc(C)c(=O)n(Cc3ccc(Cl)cc3)n2)cnc1NC(C)=O.
What is the InChIKey of N-[5-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-3-methoxy-2-pyridinyl]acetamide?
The InChIKey is VBBWNSHYACYOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-12-8-17(15-9-18(28-3)19(22-10-15)23-13(2)26)24-25(20(12)27)11-14-4-6-16(21)7-5-14/h4-10H,11H2,1-3H3,(H,22,23,26).
What are the key properties of N-[5-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-3-methoxy-2-pyridinyl]acetamide?
N-[5-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-3-methoxy-2-pyridinyl]acetamide has a molecular weight of 398.85 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-3-methoxy-2-pyridinyl]acetamide is sourced from PubChem (CID 145260262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).