3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide

C16H17ClN2O4 — CID 51305940

IUPAC3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cc(Cl)c(OC)c(OC)c2)cn1
InChIInChI=1S/C16H17ClN2O4/c1-21-13-7-11(6-12(17)15(13)23-3)16(20)19-9-10-4-5-14(22-2)18-8-10/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyGDSUSSLOEJWDQY-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.69
Rot. Bonds6

About 3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide

3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide (PubChem CID 51305940) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.78 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
PubChem CID51305940
Molecular FormulaC16H17ClN2O4
Molecular Weight336.78 g/mol
Exact Mass336.09
IUPAC Name3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cc(Cl)c(OC)c(OC)c2)cn1
InChIInChI=1S/C16H17ClN2O4/c1-21-13-7-11(6-12(17)15(13)23-3)16(20)19-9-10-4-5-14(22-2)18-8-10/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyGDSUSSLOEJWDQY-UHFFFAOYSA-N
XLogP2.69
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide
CID 51305983
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 47042876
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide
CID 55800500
3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55662530
N-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide
CID 46519975
2-(2,4-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51303949
3-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 51306028
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 103955476

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide (CID 51305940) is 3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide is COc1ccc(CNC(=O)c2cc(Cl)c(OC)c(OC)c2)cn1.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide?
The InChIKey is GDSUSSLOEJWDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c1-21-13-7-11(6-12(17)15(13)23-3)16(20)19-9-10-4-5-14(22-2)18-8-10/h4-8H,9H2,1-3H3,(H,19,20).
What are the key properties of 3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide?
3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide has a molecular weight of 336.78 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 51305940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).