methyl 5-[3-(propylcarbamoyloxy)phenyl]pyridine-3-carboxylate

C17H18N2O4 — CID 177119381

IUPACmethyl 5-[3-(propylcarbamoyloxy)phenyl]pyridine-3-carboxylate
SMILESCCCNC(=O)Oc1cccc(-c2cncc(C(=O)OC)c2)c1
InChIInChI=1S/C17H18N2O4/c1-3-7-19-17(21)23-15-6-4-5-12(9-15)13-8-14(11-18-10-13)16(20)22-2/h4-6,8-11H,3,7H2,1-2H3,(H,19,21)
InChIKeyMBDMLNVQVZABMI-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.03
Rot. Bonds5

About methyl 5-[3-(propylcarbamoyloxy)phenyl]pyridine-3-carboxylate

methyl 5-[3-(propylcarbamoyloxy)phenyl]pyridine-3-carboxylate (PubChem CID 177119381) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is methyl 5-[3-(propylcarbamoyloxy)phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-(propylcarbamoyloxy)phenyl]pyridine-3-carboxylate
PubChem CID177119381
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Namemethyl 5-[3-(propylcarbamoyloxy)phenyl]pyridine-3-carboxylate
SMILESCCCNC(=O)Oc1cccc(-c2cncc(C(=O)OC)c2)c1
InChIInChI=1S/C17H18N2O4/c1-3-7-19-17(21)23-15-6-4-5-12(9-15)13-8-14(11-18-10-13)16(20)22-2/h4-6,8-11H,3,7H2,1-2H3,(H,19,21)
InChIKeyMBDMLNVQVZABMI-UHFFFAOYSA-N
XLogP3.03
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[3-(3,5-diamino-5-oxopentoxy)phenyl]pyridine-3-carboxylate;hydrochloride
CID 70393084
5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide
CID 42845920
methyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate
CID 71304429
methyl 5-(4-fluorophenyl)pyridine-3-carboxylate
CID 22743456
5-(3-methoxyphenyl)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 10041572
methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate
CID 117222190
methyl 4-[4-(5-ethoxy-3-pyridinyl)phenyl]benzoate
CID 171698039
5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224075
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate
CID 70972222
methyl 5-ethylpyridine-3-carboxylate
CID 5323747
5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95053221

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(propylcarbamoyloxy)phenyl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[3-(propylcarbamoyloxy)phenyl]pyridine-3-carboxylate (CID 177119381) is methyl 5-[3-(propylcarbamoyloxy)phenyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[3-(propylcarbamoyloxy)phenyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[3-(propylcarbamoyloxy)phenyl]pyridine-3-carboxylate is CCCNC(=O)Oc1cccc(-c2cncc(C(=O)OC)c2)c1.
What is the InChIKey of methyl 5-[3-(propylcarbamoyloxy)phenyl]pyridine-3-carboxylate?
The InChIKey is MBDMLNVQVZABMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-3-7-19-17(21)23-15-6-4-5-12(9-15)13-8-14(11-18-10-13)16(20)22-2/h4-6,8-11H,3,7H2,1-2H3,(H,19,21).
What are the key properties of methyl 5-[3-(propylcarbamoyloxy)phenyl]pyridine-3-carboxylate?
methyl 5-[3-(propylcarbamoyloxy)phenyl]pyridine-3-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(propylcarbamoyloxy)phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 177119381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).