methyl 3-[(4-methoxyphenyl)carbamoyl]pyridine-4-carboxylate

C15H14N2O4 — CID 2764383

IUPACmethyl 3-[(4-methoxyphenyl)carbamoyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C15H14N2O4/c1-20-11-5-3-10(4-6-11)17-14(18)13-9-16-8-7-12(13)15(19)21-2/h3-9H,1-2H3,(H,17,18)
InChIKeyFQHXQLKVARKHAW-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.13
Rot. Bonds4

About methyl 3-[(4-methoxyphenyl)carbamoyl]pyridine-4-carboxylate

methyl 3-[(4-methoxyphenyl)carbamoyl]pyridine-4-carboxylate (PubChem CID 2764383) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is methyl 3-[(4-methoxyphenyl)carbamoyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-methoxyphenyl)carbamoyl]pyridine-4-carboxylate
PubChem CID2764383
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Namemethyl 3-[(4-methoxyphenyl)carbamoyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C15H14N2O4/c1-20-11-5-3-10(4-6-11)17-14(18)13-9-16-8-7-12(13)15(19)21-2/h3-9H,1-2H3,(H,17,18)
InChIKeyFQHXQLKVARKHAW-UHFFFAOYSA-N
XLogP2.13
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methoxyphenyl)carbamoyl]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[(4-methoxyphenyl)carbamoyl]pyridine-4-carboxylate (CID 2764383) is methyl 3-[(4-methoxyphenyl)carbamoyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[(4-methoxyphenyl)carbamoyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[(4-methoxyphenyl)carbamoyl]pyridine-4-carboxylate is COC(=O)c1ccncc1C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of methyl 3-[(4-methoxyphenyl)carbamoyl]pyridine-4-carboxylate?
The InChIKey is FQHXQLKVARKHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-20-11-5-3-10(4-6-11)17-14(18)13-9-16-8-7-12(13)15(19)21-2/h3-9H,1-2H3,(H,17,18).
What are the key properties of methyl 3-[(4-methoxyphenyl)carbamoyl]pyridine-4-carboxylate?
methyl 3-[(4-methoxyphenyl)carbamoyl]pyridine-4-carboxylate has a molecular weight of 286.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methoxyphenyl)carbamoyl]pyridine-4-carboxylate is sourced from PubChem (CID 2764383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).