2-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide

C19H22FN3O3 — CID 2465614

IUPAC2-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(CC)CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O3/c1-3-23(19(25)16-6-5-11-21-18(16)26-4-2)13-17(24)22-12-14-7-9-15(20)10-8-14/h5-11H,3-4,12-13H2,1-2H3,(H,22,24)
InChIKeyQMEVJYUKOMOQSH-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.40
Rot. Bonds8

About 2-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide

2-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 2465614) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide
PubChem CID2465614
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name2-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(CC)CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O3/c1-3-23(19(25)16-6-5-11-21-18(16)26-4-2)13-17(24)22-12-14-7-9-15(20)10-8-14/h5-11H,3-4,12-13H2,1-2H3,(H,22,24)
InChIKeyQMEVJYUKOMOQSH-UHFFFAOYSA-N
XLogP2.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide (CID 2465614) is 2-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)N(CC)CC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is QMEVJYUKOMOQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-3-23(19(25)16-6-5-11-21-18(16)26-4-2)13-17(24)22-12-14-7-9-15(20)10-8-14/h5-11H,3-4,12-13H2,1-2H3,(H,22,24).
What are the key properties of 2-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide?
2-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 2465614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).