N-[4-[6-(5-amino-2-methylphenyl)-2-methyl-3-oxopyridazin-4-yl]-2-pyridinyl]acetamide

C19H19N5O2 — CID 168929025

IUPACN-[4-[6-(5-amino-2-methylphenyl)-2-methyl-3-oxopyridazin-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(-c3cc(N)ccc3C)nn(C)c2=O)ccn1
InChIInChI=1S/C19H19N5O2/c1-11-4-5-14(20)9-15(11)17-10-16(19(26)24(3)23-17)13-6-7-21-18(8-13)22-12(2)25/h4-10H,20H2,1-3H3,(H,21,22,25)
InChIKeyDTYKNXVBEUYCGQ-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.36
Rot. Bonds3

About N-[4-[6-(5-amino-2-methylphenyl)-2-methyl-3-oxopyridazin-4-yl]-2-pyridinyl]acetamide

N-[4-[6-(5-amino-2-methylphenyl)-2-methyl-3-oxopyridazin-4-yl]-2-pyridinyl]acetamide (PubChem CID 168929025) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[4-[6-(5-amino-2-methylphenyl)-2-methyl-3-oxopyridazin-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-(5-amino-2-methylphenyl)-2-methyl-3-oxopyridazin-4-yl]-2-pyridinyl]acetamide
PubChem CID168929025
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[4-[6-(5-amino-2-methylphenyl)-2-methyl-3-oxopyridazin-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(-c3cc(N)ccc3C)nn(C)c2=O)ccn1
InChIInChI=1S/C19H19N5O2/c1-11-4-5-14(20)9-15(11)17-10-16(19(26)24(3)23-17)13-6-7-21-18(8-13)22-12(2)25/h4-10H,20H2,1-3H3,(H,21,22,25)
InChIKeyDTYKNXVBEUYCGQ-UHFFFAOYSA-N
XLogP2.36
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(5-amino-2-methylphenyl)-2-methyl-3-oxopyridazin-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-(5-amino-2-methylphenyl)-2-methyl-3-oxopyridazin-4-yl]-2-pyridinyl]acetamide (CID 168929025) is N-[4-[6-(5-amino-2-methylphenyl)-2-methyl-3-oxopyridazin-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-(5-amino-2-methylphenyl)-2-methyl-3-oxopyridazin-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-(5-amino-2-methylphenyl)-2-methyl-3-oxopyridazin-4-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cc(-c3cc(N)ccc3C)nn(C)c2=O)ccn1.
What is the InChIKey of N-[4-[6-(5-amino-2-methylphenyl)-2-methyl-3-oxopyridazin-4-yl]-2-pyridinyl]acetamide?
The InChIKey is DTYKNXVBEUYCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-11-4-5-14(20)9-15(11)17-10-16(19(26)24(3)23-17)13-6-7-21-18(8-13)22-12(2)25/h4-10H,20H2,1-3H3,(H,21,22,25).
What are the key properties of N-[4-[6-(5-amino-2-methylphenyl)-2-methyl-3-oxopyridazin-4-yl]-2-pyridinyl]acetamide?
N-[4-[6-(5-amino-2-methylphenyl)-2-methyl-3-oxopyridazin-4-yl]-2-pyridinyl]acetamide has a molecular weight of 349.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(5-amino-2-methylphenyl)-2-methyl-3-oxopyridazin-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 168929025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).