5-methoxy-2-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-pyridin-4-one

C17H18N4O3 — CID 91830555

IUPAC5-methoxy-2-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN(C)Cc2nnc(-c3ccccc3)o2)cc1=O
InChIInChI=1S/C17H18N4O3/c1-21(10-13-8-14(22)15(23-2)9-18-13)11-16-19-20-17(24-16)12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,18,22)
InChIKeyQYATZRDCHXQREY-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.07
Rot. Bonds6

About 5-methoxy-2-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-pyridin-4-one

5-methoxy-2-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-pyridin-4-one (PubChem CID 91830555) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-methoxy-2-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name5-methoxy-2-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-pyridin-4-one
PubChem CID91830555
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name5-methoxy-2-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN(C)Cc2nnc(-c3ccccc3)o2)cc1=O
InChIInChI=1S/C17H18N4O3/c1-21(10-13-8-14(22)15(23-2)9-18-13)11-16-19-20-17(24-16)12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,18,22)
InChIKeyQYATZRDCHXQREY-UHFFFAOYSA-N
XLogP2.07
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-2-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-pyridin-4-one with MolForge

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Launch Full Analysis

Related Compounds

1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60589437
N,N-dimethyl-2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 34161725
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 31374350
6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56719204
3,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 24555864
N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
CID 171326059
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
N-methyl-2-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 56549579
2-(3,4-dimethoxyphenyl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 110656547
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 8802346
3,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870590
N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
CID 91841578

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-pyridin-4-one?
The IUPAC name of 5-methoxy-2-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-pyridin-4-one (CID 91830555) is 5-methoxy-2-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-pyridin-4-one.
What is the SMILES notation for 5-methoxy-2-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-pyridin-4-one?
The canonical SMILES for 5-methoxy-2-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-pyridin-4-one is COc1c[nH]c(CN(C)Cc2nnc(-c3ccccc3)o2)cc1=O.
What is the InChIKey of 5-methoxy-2-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-pyridin-4-one?
The InChIKey is QYATZRDCHXQREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-21(10-13-8-14(22)15(23-2)9-18-13)11-16-19-20-17(24-16)12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,18,22).
What are the key properties of 5-methoxy-2-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-pyridin-4-one?
5-methoxy-2-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-pyridin-4-one has a molecular weight of 326.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-pyridin-4-one is sourced from PubChem (CID 91830555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).