3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

C19H22N2O4 — CID 134695838

IUPAC3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1
InChIInChI=1S/C19H22N2O4/c1-23-16-8-14(9-17(10-16)24-2)19(22)21-18-12-25-11-15(18)7-13-3-5-20-6-4-13/h3-6,8-10,15,18H,7,11-12H2,1-2H3,(H,21,22)/t15-,18+/m1/s1
InChIKeyYZJLIEYMCHWBCL-QAPCUYQASA-N
MW342.40 g/mol
LogP2.09
Rot. Bonds6

About 3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide (PubChem CID 134695838) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
PubChem CID134695838
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1
InChIInChI=1S/C19H22N2O4/c1-23-16-8-14(9-17(10-16)24-2)19(22)21-18-12-25-11-15(18)7-13-3-5-20-6-4-13/h3-6,8-10,15,18H,7,11-12H2,1-2H3,(H,21,22)/t15-,18+/m1/s1
InChIKeyYZJLIEYMCHWBCL-QAPCUYQASA-N
XLogP2.09
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide (CID 134695838) is 3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide is COc1cc(OC)cc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The InChIKey is YZJLIEYMCHWBCL-QAPCUYQASA-N. The full InChI is InChI=1S/C19H22N2O4/c1-23-16-8-14(9-17(10-16)24-2)19(22)21-18-12-25-11-15(18)7-13-3-5-20-6-4-13/h3-6,8-10,15,18H,7,11-12H2,1-2H3,(H,21,22)/t15-,18+/m1/s1.
What are the key properties of 3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide is sourced from PubChem (CID 134695838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).