3,4-dimethyl-6-oxo-N-[(2-phenoxyphenyl)methyl]-1H-pyridazine-5-carboxamide

C20H19N3O3 — CID 71936013

IUPAC3,4-dimethyl-6-oxo-N-[(2-phenoxyphenyl)methyl]-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NCc2ccccc2Oc2ccccc2)c1C
InChIInChI=1S/C20H19N3O3/c1-13-14(2)22-23-20(25)18(13)19(24)21-12-15-8-6-7-11-17(15)26-16-9-4-3-5-10-16/h3-11H,12H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyCDALMNURPFQWLX-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.11
Rot. Bonds5

About 3,4-dimethyl-6-oxo-N-[(2-phenoxyphenyl)methyl]-1H-pyridazine-5-carboxamide

3,4-dimethyl-6-oxo-N-[(2-phenoxyphenyl)methyl]-1H-pyridazine-5-carboxamide (PubChem CID 71936013) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3,4-dimethyl-6-oxo-N-[(2-phenoxyphenyl)methyl]-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-6-oxo-N-[(2-phenoxyphenyl)methyl]-1H-pyridazine-5-carboxamide
PubChem CID71936013
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3,4-dimethyl-6-oxo-N-[(2-phenoxyphenyl)methyl]-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NCc2ccccc2Oc2ccccc2)c1C
InChIInChI=1S/C20H19N3O3/c1-13-14(2)22-23-20(25)18(13)19(24)21-12-15-8-6-7-11-17(15)26-16-9-4-3-5-10-16/h3-11H,12H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyCDALMNURPFQWLX-UHFFFAOYSA-N
XLogP3.11
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide
CID 60975575
N-[(2-phenoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 70978530
7-methylsulfanyl-5-oxo-N-[(2-phenoxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470169
N-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 103944574
1-oxido-N-[(2-phenoxyphenyl)methyl]pyridin-1-ium-2-carboxamide
CID 75364438
3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methoxypropanoic acid
CID 106107384
2-nitro-N-[(2-phenoxyphenyl)methyl]benzamide
CID 60599991
N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 43428095
N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide
CID 154880106
(2S)-N-[(2-phenoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94810471
1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea
CID 110909282
1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-phenoxyphenyl)methyl]urea
CID 60600547

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-oxo-N-[(2-phenoxyphenyl)methyl]-1H-pyridazine-5-carboxamide?
The IUPAC name of 3,4-dimethyl-6-oxo-N-[(2-phenoxyphenyl)methyl]-1H-pyridazine-5-carboxamide (CID 71936013) is 3,4-dimethyl-6-oxo-N-[(2-phenoxyphenyl)methyl]-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 3,4-dimethyl-6-oxo-N-[(2-phenoxyphenyl)methyl]-1H-pyridazine-5-carboxamide?
The canonical SMILES for 3,4-dimethyl-6-oxo-N-[(2-phenoxyphenyl)methyl]-1H-pyridazine-5-carboxamide is Cc1n[nH]c(=O)c(C(=O)NCc2ccccc2Oc2ccccc2)c1C.
What is the InChIKey of 3,4-dimethyl-6-oxo-N-[(2-phenoxyphenyl)methyl]-1H-pyridazine-5-carboxamide?
The InChIKey is CDALMNURPFQWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-14(2)22-23-20(25)18(13)19(24)21-12-15-8-6-7-11-17(15)26-16-9-4-3-5-10-16/h3-11H,12H2,1-2H3,(H,21,24)(H,23,25).
What are the key properties of 3,4-dimethyl-6-oxo-N-[(2-phenoxyphenyl)methyl]-1H-pyridazine-5-carboxamide?
3,4-dimethyl-6-oxo-N-[(2-phenoxyphenyl)methyl]-1H-pyridazine-5-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-oxo-N-[(2-phenoxyphenyl)methyl]-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 71936013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).