methyl 6-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate

C17H17ClN2O4 — CID 32762970

IUPACmethyl 6-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N(C)Cc2cc(Cl)ccc2OC)nc1
InChIInChI=1S/C17H17ClN2O4/c1-20(10-12-8-13(18)5-7-15(12)23-2)16(21)14-6-4-11(9-19-14)17(22)24-3/h4-9H,10H2,1-3H3
InChIKeyXJKYGFOXIKLPDI-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.80
Rot. Bonds5

About methyl 6-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate

methyl 6-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate (PubChem CID 32762970) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is methyl 6-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate
PubChem CID32762970
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Namemethyl 6-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N(C)Cc2cc(Cl)ccc2OC)nc1
InChIInChI=1S/C17H17ClN2O4/c1-20(10-12-8-13(18)5-7-15(12)23-2)16(21)14-6-4-11(9-19-14)17(22)24-3/h4-9H,10H2,1-3H3
InChIKeyXJKYGFOXIKLPDI-UHFFFAOYSA-N
XLogP2.80
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
methyl 6-[(2-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate
CID 32812277
5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55739082
methyl 6-[[4-(dimethylamino)phenyl]methyl-methylcarbamoyl]pyridine-3-carboxylate
CID 35745836
N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide
CID 107236575
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 9183059
4-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-(methylsulfamoyl)benzamide
CID 9182996
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 26726400
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide
CID 112798057
5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 103803183
N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide
CID 32760905
3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 41437401

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate (CID 32762970) is methyl 6-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)N(C)Cc2cc(Cl)ccc2OC)nc1.
What is the InChIKey of methyl 6-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate?
The InChIKey is XJKYGFOXIKLPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-20(10-12-8-13(18)5-7-15(12)23-2)16(21)14-6-4-11(9-19-14)17(22)24-3/h4-9H,10H2,1-3H3.
What are the key properties of methyl 6-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate?
methyl 6-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate has a molecular weight of 348.79 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 32762970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).