N-[2-(2-methoxyanilino)-2-oxoethyl]-6-oxo-N-propyl-1H-pyridine-3-carboxamide

C18H21N3O4 — CID 4780294

IUPACN-[2-(2-methoxyanilino)-2-oxoethyl]-6-oxo-N-propyl-1H-pyridine-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C18H21N3O4/c1-3-10-21(18(24)13-8-9-16(22)19-11-13)12-17(23)20-14-6-4-5-7-15(14)25-2/h4-9,11H,3,10,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyWATQCCKCROWORB-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.87
Rot. Bonds7

About N-[2-(2-methoxyanilino)-2-oxoethyl]-6-oxo-N-propyl-1H-pyridine-3-carboxamide

N-[2-(2-methoxyanilino)-2-oxoethyl]-6-oxo-N-propyl-1H-pyridine-3-carboxamide (PubChem CID 4780294) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[2-(2-methoxyanilino)-2-oxoethyl]-6-oxo-N-propyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyanilino)-2-oxoethyl]-6-oxo-N-propyl-1H-pyridine-3-carboxamide
PubChem CID4780294
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[2-(2-methoxyanilino)-2-oxoethyl]-6-oxo-N-propyl-1H-pyridine-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C18H21N3O4/c1-3-10-21(18(24)13-8-9-16(22)19-11-13)12-17(23)20-14-6-4-5-7-15(14)25-2/h4-9,11H,3,10,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyWATQCCKCROWORB-UHFFFAOYSA-N
XLogP1.87
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]-6-oxo-N-propyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]-6-oxo-N-propyl-1H-pyridine-3-carboxamide (CID 4780294) is N-[2-(2-methoxyanilino)-2-oxoethyl]-6-oxo-N-propyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyanilino)-2-oxoethyl]-6-oxo-N-propyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyanilino)-2-oxoethyl]-6-oxo-N-propyl-1H-pyridine-3-carboxamide is CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[2-(2-methoxyanilino)-2-oxoethyl]-6-oxo-N-propyl-1H-pyridine-3-carboxamide?
The InChIKey is WATQCCKCROWORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-3-10-21(18(24)13-8-9-16(22)19-11-13)12-17(23)20-14-6-4-5-7-15(14)25-2/h4-9,11H,3,10,12H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-(2-methoxyanilino)-2-oxoethyl]-6-oxo-N-propyl-1H-pyridine-3-carboxamide?
N-[2-(2-methoxyanilino)-2-oxoethyl]-6-oxo-N-propyl-1H-pyridine-3-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyanilino)-2-oxoethyl]-6-oxo-N-propyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 4780294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).