N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide

C16H19N3O3 — CID 51241769

IUPACN,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C16H19N3O3/c1-12-6-4-5-7-14(12)22-11-10-18(2)16(21)13-8-9-15(20)19(3)17-13/h4-9H,10-11H2,1-3H3
InChIKeyHWNVBAKSCJYACQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.24
Rot. Bonds5

About N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide

N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide (PubChem CID 51241769) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
PubChem CID51241769
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C16H19N3O3/c1-12-6-4-5-7-14(12)22-11-10-18(2)16(21)13-8-9-15(20)19(3)17-13/h4-9H,10-11H2,1-3H3
InChIKeyHWNVBAKSCJYACQ-UHFFFAOYSA-N
XLogP1.24
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide
CID 26979234
N-(2-hydroxyethyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide
CID 60652659
1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide
CID 55649566
N,1,3-trimethyl-N-[2-(2-methylphenoxy)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 31342976
N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38107143
2-(aminomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66376486
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979557
(2R)-1-methyl-4-(1-methyl-6-oxopyridazine-3-carbonyl)-N-[2-(2-methylphenoxy)ethyl]piperazine-2-carboxamide
CID 124941002
(2S)-1-methyl-4-(1-methyl-6-oxopyridazine-3-carbonyl)-N-[2-(2-methylphenoxy)ethyl]piperazine-2-carboxamide
CID 124941001
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 54869692
2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 103497587
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 26979636

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide (CID 51241769) is N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide is Cc1ccccc1OCCN(C)C(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is HWNVBAKSCJYACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-12-6-4-5-7-14(12)22-11-10-18(2)16(21)13-8-9-15(20)19(3)17-13/h4-9H,10-11H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide?
N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51241769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).