N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

C16H18N2O4 — CID 4825908

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(=O)[nH]c2)cc1OC
InChIInChI=1S/C16H18N2O4/c1-21-13-5-3-11(9-14(13)22-2)7-8-17-16(20)12-4-6-15(19)18-10-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyUITMCULSBDEKCK-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.36
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 4825908) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID4825908
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(=O)[nH]c2)cc1OC
InChIInChI=1S/C16H18N2O4/c1-21-13-5-3-11(9-14(13)22-2)7-8-17-16(20)12-4-6-15(19)18-10-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyUITMCULSBDEKCK-UHFFFAOYSA-N
XLogP1.36
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 4825908) is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is COc1ccc(CCNC(=O)c2ccc(=O)[nH]c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is UITMCULSBDEKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-21-13-5-3-11(9-14(13)22-2)7-8-17-16(20)12-4-6-15(19)18-10-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 4825908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).