N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(oxolan-3-yl)benzamide

C24H24N2O4 — CID 138995609

IUPACN-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(oxolan-3-yl)benzamide
SMILESCOc1cccc(Oc2ncccc2CNC(=O)c2cccc(C3CCOC3)c2)c1
InChIInChI=1S/C24H24N2O4/c1-28-21-8-3-9-22(14-21)30-24-19(7-4-11-25-24)15-26-23(27)18-6-2-5-17(13-18)20-10-12-29-16-20/h2-9,11,13-14,20H,10,12,15-16H2,1H3,(H,26,27)
InChIKeyUSUDRMQQAHVNFV-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.32
Rot. Bonds7

About N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(oxolan-3-yl)benzamide

N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(oxolan-3-yl)benzamide (PubChem CID 138995609) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(oxolan-3-yl)benzamide.

Molecular Properties

Compound NameN-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(oxolan-3-yl)benzamide
PubChem CID138995609
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(oxolan-3-yl)benzamide
SMILESCOc1cccc(Oc2ncccc2CNC(=O)c2cccc(C3CCOC3)c2)c1
InChIInChI=1S/C24H24N2O4/c1-28-21-8-3-9-22(14-21)30-24-19(7-4-11-25-24)15-26-23(27)18-6-2-5-17(13-18)20-10-12-29-16-20/h2-9,11,13-14,20H,10,12,15-16H2,1H3,(H,26,27)
InChIKeyUSUDRMQQAHVNFV-UHFFFAOYSA-N
XLogP4.32
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472950
N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119892797
(2S)-2-amino-N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119892776
N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119892786
methyl 3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]benzoate
CID 55803950
N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914739
3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148255
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]quinoline-6-carboxamide
CID 56738127
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
CID 56752971
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55692907
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 119847828
3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide
CID 46434206

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(oxolan-3-yl)benzamide?
The IUPAC name of N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(oxolan-3-yl)benzamide (CID 138995609) is N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(oxolan-3-yl)benzamide.
What is the SMILES notation for N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(oxolan-3-yl)benzamide?
The canonical SMILES for N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(oxolan-3-yl)benzamide is COc1cccc(Oc2ncccc2CNC(=O)c2cccc(C3CCOC3)c2)c1.
What is the InChIKey of N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(oxolan-3-yl)benzamide?
The InChIKey is USUDRMQQAHVNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-28-21-8-3-9-22(14-21)30-24-19(7-4-11-25-24)15-26-23(27)18-6-2-5-17(13-18)20-10-12-29-16-20/h2-9,11,13-14,20H,10,12,15-16H2,1H3,(H,26,27).
What are the key properties of N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(oxolan-3-yl)benzamide?
N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(oxolan-3-yl)benzamide has a molecular weight of 404.47 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(oxolan-3-yl)benzamide is sourced from PubChem (CID 138995609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).