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

C18H22N2O4 — CID 18105462

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(=O)[nH]c2)cc1OCC
InChIInChI=1S/C18H22N2O4/c1-3-23-15-7-5-13(11-16(15)24-4-2)9-10-19-18(22)14-6-8-17(21)20-12-14/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyDNUUETMHDCNULL-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.14
Rot. Bonds8

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

N-[2-(3,4-diethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 18105462) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID18105462
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(=O)[nH]c2)cc1OCC
InChIInChI=1S/C18H22N2O4/c1-3-23-15-7-5-13(11-16(15)24-4-2)9-10-19-18(22)14-6-8-17(21)20-12-14/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyDNUUETMHDCNULL-UHFFFAOYSA-N
XLogP2.14
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.14
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-diethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 18105462) is N-[2-(3,4-diethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is CCOc1ccc(CCNC(=O)c2ccc(=O)[nH]c2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DNUUETMHDCNULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-23-15-7-5-13(11-16(15)24-4-2)9-10-19-18(22)14-6-8-17(21)20-12-14/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 18105462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).