3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide

C19H24N2O5 — CID 47042876

IUPAC3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(OC(C)C)nc2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O5/c1-12(2)26-17-7-6-13(10-20-17)11-21-19(22)14-8-15(23-3)18(25-5)16(9-14)24-4/h6-10,12H,11H2,1-5H3,(H,21,22)
InChIKeyQZXWFKATFKIXJR-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.82
Rot. Bonds8

About 3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide

3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide (PubChem CID 47042876) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
PubChem CID47042876
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(OC(C)C)nc2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O5/c1-12(2)26-17-7-6-13(10-20-17)11-21-19(22)14-8-15(23-3)18(25-5)16(9-14)24-4/h6-10,12H,11H2,1-5H3,(H,21,22)
InChIKeyQZXWFKATFKIXJR-UHFFFAOYSA-N
XLogP2.82
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 51306028
3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51305940
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 47042880
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
4-[4-[(6-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenoxy]benzamide
CID 56546047
3,4,5-trimethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
CID 43911196
3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide
CID 51305983
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
CID 111202880
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111202879
2,3,5-trichloro-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 112842813

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide (CID 47042876) is 3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide is COc1cc(C(=O)NCc2ccc(OC(C)C)nc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
The InChIKey is QZXWFKATFKIXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-12(2)26-17-7-6-13(10-20-17)11-21-19(22)14-8-15(23-3)18(25-5)16(9-14)24-4/h6-10,12H,11H2,1-5H3,(H,21,22).
What are the key properties of 3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide has a molecular weight of 360.41 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 47042876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).