3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide

C16H18N2O5 — CID 171387606

IUPAC3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide
SMILESCOc1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C16H18N2O5/c1-20-11-8-10(9-12(21-2)15(11)23-4)16(19)18-13-6-5-7-14(17-13)22-3/h5-9H,1-4H3,(H,17,18,19)
InChIKeyNGIFUXOKLIMMME-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.37
Rot. Bonds6

About 3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide

3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide (PubChem CID 171387606) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide
PubChem CID171387606
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide
SMILESCOc1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C16H18N2O5/c1-20-11-8-10(9-12(21-2)15(11)23-4)16(19)18-13-6-5-7-14(17-13)22-3/h5-9H,1-4H3,(H,17,18,19)
InChIKeyNGIFUXOKLIMMME-UHFFFAOYSA-N
XLogP2.37
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3,4,5-trimethoxy-N-(7-methyl-1,8-naphthyridin-2-yl)benzamide
CID 171913422
7-methoxy-N-(6-methoxy-2-pyridinyl)-2-(oxan-4-yl)indazole-5-carboxamide
CID 155438645
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 127109293
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
CID 5167403
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 82343837
3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545207
N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
CID 3984738
3,4,5-trimethoxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154687
N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 46307937

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide (CID 171387606) is 3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide is COc1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of 3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide?
The InChIKey is NGIFUXOKLIMMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-20-11-8-10(9-12(21-2)15(11)23-4)16(19)18-13-6-5-7-14(17-13)22-3/h5-9H,1-4H3,(H,17,18,19).
What are the key properties of 3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide?
3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide has a molecular weight of 318.33 g/mol, XLogP of 2.37, 6 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-methoxy-2-pyridinyl)benzamide is sourced from PubChem (CID 171387606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).