N-ethyl-2,3-difluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide

C13H17F2N3O2 — CID 105380509

IUPACN-ethyl-2,3-difluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H17F2N3O2/c1-4-18(7-10(19)17-8(2)3)13(20)9-5-6-16-12(15)11(9)14/h5-6,8H,4,7H2,1-3H3,(H,17,19)
InChIKeyYSFBWJADRKLERV-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.35
Rot. Bonds5

About N-ethyl-2,3-difluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide

N-ethyl-2,3-difluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide (PubChem CID 105380509) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is N-ethyl-2,3-difluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,3-difluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
PubChem CID105380509
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC NameN-ethyl-2,3-difluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H17F2N3O2/c1-4-18(7-10(19)17-8(2)3)13(20)9-5-6-16-12(15)11(9)14/h5-6,8H,4,7H2,1-3H3,(H,17,19)
InChIKeyYSFBWJADRKLERV-UHFFFAOYSA-N
XLogP1.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2,3-difluoro-N-(2-methylprop-2-enyl)pyridine-4-carboxamide
CID 105380283
3-bromo-N-ethyl-2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 106544231
2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 46823565
N-ethyl-3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54986003
N-[2-(diethylamino)-2-oxoethyl]-2,3-difluoropyridine-4-carboxamide
CID 105381540
N-ethyl-4-fluoro-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 63212665
N-ethyl-2-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 18155625
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 51172762
5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 47100210
4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 8892305
5-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-2-carboxylic acid
CID 60725372
2-amino-3-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 115540404

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-difluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-ethyl-2,3-difluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide (CID 105380509) is N-ethyl-2,3-difluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-2,3-difluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-2,3-difluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide is CCN(CC(=O)NC(C)C)C(=O)c1ccnc(F)c1F.
What is the InChIKey of N-ethyl-2,3-difluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide?
The InChIKey is YSFBWJADRKLERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-4-18(7-10(19)17-8(2)3)13(20)9-5-6-16-12(15)11(9)14/h5-6,8H,4,7H2,1-3H3,(H,17,19).
What are the key properties of N-ethyl-2,3-difluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide?
N-ethyl-2,3-difluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide has a molecular weight of 285.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-difluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 105380509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).