1-methyl-6-oxo-N-[5-(2-phenoxyethyl)-2-pyridinyl]pyridazine-3-carboxamide

C19H18N4O3 — CID 155700124

IUPAC1-methyl-6-oxo-N-[5-(2-phenoxyethyl)-2-pyridinyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(CCOc3ccccc3)cn2)ccc1=O
InChIInChI=1S/C19H18N4O3/c1-23-18(24)10-8-16(22-23)19(25)21-17-9-7-14(13-20-17)11-12-26-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,21,25)
InChIKeyVGCYZMFUQVSPML-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.05
Rot. Bonds6

About 1-methyl-6-oxo-N-[5-(2-phenoxyethyl)-2-pyridinyl]pyridazine-3-carboxamide

1-methyl-6-oxo-N-[5-(2-phenoxyethyl)-2-pyridinyl]pyridazine-3-carboxamide (PubChem CID 155700124) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[5-(2-phenoxyethyl)-2-pyridinyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[5-(2-phenoxyethyl)-2-pyridinyl]pyridazine-3-carboxamide
PubChem CID155700124
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1-methyl-6-oxo-N-[5-(2-phenoxyethyl)-2-pyridinyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(CCOc3ccccc3)cn2)ccc1=O
InChIInChI=1S/C19H18N4O3/c1-23-18(24)10-8-16(22-23)19(25)21-17-9-7-14(13-20-17)11-12-26-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,21,25)
InChIKeyVGCYZMFUQVSPML-UHFFFAOYSA-N
XLogP2.05
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[5-(2-phenoxyethyl)-2-pyridinyl]pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[5-(2-phenoxyethyl)-2-pyridinyl]pyridazine-3-carboxamide (CID 155700124) is 1-methyl-6-oxo-N-[5-(2-phenoxyethyl)-2-pyridinyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[5-(2-phenoxyethyl)-2-pyridinyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[5-(2-phenoxyethyl)-2-pyridinyl]pyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccc(CCOc3ccccc3)cn2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[5-(2-phenoxyethyl)-2-pyridinyl]pyridazine-3-carboxamide?
The InChIKey is VGCYZMFUQVSPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-23-18(24)10-8-16(22-23)19(25)21-17-9-7-14(13-20-17)11-12-26-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,21,25).
What are the key properties of 1-methyl-6-oxo-N-[5-(2-phenoxyethyl)-2-pyridinyl]pyridazine-3-carboxamide?
1-methyl-6-oxo-N-[5-(2-phenoxyethyl)-2-pyridinyl]pyridazine-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[5-(2-phenoxyethyl)-2-pyridinyl]pyridazine-3-carboxamide is sourced from PubChem (CID 155700124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).