N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide

C18H16N4O4 — CID 43069771

IUPACN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1OCc1cccnc1
InChIInChI=1S/C18H16N4O4/c1-25-15-6-4-13(20-18(24)14-5-7-17(23)22-21-14)9-16(15)26-11-12-3-2-8-19-10-12/h2-10H,11H2,1H3,(H,20,24)(H,22,23)
InChIKeyNYOWCFBNQRKKNU-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.00
Rot. Bonds6

About N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 43069771) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID43069771
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC NameN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1OCc1cccnc1
InChIInChI=1S/C18H16N4O4/c1-25-15-6-4-13(20-18(24)14-5-7-17(23)22-21-14)9-16(15)26-11-12-3-2-8-19-10-12/h2-10H,11H2,1H3,(H,20,24)(H,22,23)
InChIKeyNYOWCFBNQRKKNU-UHFFFAOYSA-N
XLogP2.00
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
ethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55672143
2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 55643410
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 43069812
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38627115
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide
CID 42958626
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55643516
N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600732
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 38628144
3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide
CID 43069846
2-(2,4-dimethoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 43069801
4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide
CID 120595348

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 43069771) is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1OCc1cccnc1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is NYOWCFBNQRKKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-25-15-6-4-13(20-18(24)14-5-7-17(23)22-21-14)9-16(15)26-11-12-3-2-8-19-10-12/h2-10H,11H2,1H3,(H,20,24)(H,22,23).
What are the key properties of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43069771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).