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

C14H11F2N3O3 — CID 2451727

IUPACN-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(CNC(=O)c1ccc(=O)[nH]c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2N3O3/c15-10-3-2-9(5-11(10)16)19-13(21)7-18-14(22)8-1-4-12(20)17-6-8/h1-6H,7H2,(H,17,20)(H,18,22)(H,19,21)
InChIKeyWHVKISLNYUJOGW-UHFFFAOYSA-N
MW307.26 g/mol
LogP1.02
Rot. Bonds4

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

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 2451727) has the molecular formula C14H11F2N3O3 and a molecular weight of 307.26 g/mol. Its IUPAC name is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID2451727
Molecular FormulaC14H11F2N3O3
Molecular Weight307.26 g/mol
Exact Mass307.08
IUPAC NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(CNC(=O)c1ccc(=O)[nH]c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2N3O3/c15-10-3-2-9(5-11(10)16)19-13(21)7-18-14(22)8-1-4-12(20)17-6-8/h1-6H,7H2,(H,17,20)(H,18,22)(H,19,21)
InChIKeyWHVKISLNYUJOGW-UHFFFAOYSA-N
XLogP1.02
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 2451727) is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(CNC(=O)c1ccc(=O)[nH]c1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WHVKISLNYUJOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O3/c15-10-3-2-9(5-11(10)16)19-13(21)7-18-14(22)8-1-4-12(20)17-6-8/h1-6H,7H2,(H,17,20)(H,18,22)(H,19,21).
What are the key properties of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 307.26 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 2451727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).