3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide

C16H19N3O2 — CID 110737936

IUPAC3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(C)nn2)cc1
InChIInChI=1S/C16H19N3O2/c1-12-3-7-14(19-18-12)11-17-16(20)10-6-13-4-8-15(21-2)9-5-13/h3-5,7-9H,6,10-11H2,1-2H3,(H,17,20)
InChIKeyRRDVHCSWFBKRPF-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.04
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide

3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide (PubChem CID 110737936) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
PubChem CID110737936
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(C)nn2)cc1
InChIInChI=1S/C16H19N3O2/c1-12-3-7-14(19-18-12)11-17-16(20)10-6-13-4-8-15(21-2)9-5-13/h3-5,7-9H,6,10-11H2,1-2H3,(H,17,20)
InChIKeyRRDVHCSWFBKRPF-UHFFFAOYSA-N
XLogP2.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 121122601
3-(4-methoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)propanamide
CID 110718948
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
CID 110737950
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 121137428
2-(4-methylphenoxy)-N-[(6-methylpyridazin-3-yl)methyl]acetamide
CID 110737921
3-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 18167253
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679194
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 47862506
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide (CID 110737936) is 3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide is COc1ccc(CCC(=O)NCc2ccc(C)nn2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide?
The InChIKey is RRDVHCSWFBKRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-3-7-14(19-18-12)11-17-16(20)10-6-13-4-8-15(21-2)9-5-13/h3-5,7-9H,6,10-11H2,1-2H3,(H,17,20).
What are the key properties of 3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide?
3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide has a molecular weight of 285.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide is sourced from PubChem (CID 110737936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).