N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide

C10H12FN3O2 — CID 103101741

IUPACN-(2-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide
SMILESCCN(CC(N)=O)C(=O)c1ccnc(F)c1
InChIInChI=1S/C10H12FN3O2/c1-2-14(6-9(12)15)10(16)7-3-4-13-8(11)5-7/h3-5H,2,6H2,1H3,(H2,12,15)
InChIKeyFWNHJYYNDSASBS-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.17
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide

N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide (PubChem CID 103101741) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide
PubChem CID103101741
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC NameN-(2-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide
SMILESCCN(CC(N)=O)C(=O)c1ccnc(F)c1
InChIInChI=1S/C10H12FN3O2/c1-2-14(6-9(12)15)10(16)7-3-4-13-8(11)5-7/h3-5H,2,6H2,1H3,(H2,12,15)
InChIKeyFWNHJYYNDSASBS-UHFFFAOYSA-N
XLogP0.17
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.17
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-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide
CID 61292713
N-ethyl-2-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 61293621
methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 103633415
N-(2-amino-2-oxoethyl)-N-ethyl-4-fluorobenzamide
CID 103101753
ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate
CID 55007165
N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide
CID 61292893
2-fluoro-N-methyl-N-propylpyridine-4-carboxamide
CID 61293439
N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide
CID 63693462
2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
CID 61294360
2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid
CID 114036488
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 61293810
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 60565522

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide (CID 103101741) is N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide is CCN(CC(N)=O)C(=O)c1ccnc(F)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide?
The InChIKey is FWNHJYYNDSASBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c1-2-14(6-9(12)15)10(16)7-3-4-13-8(11)5-7/h3-5H,2,6H2,1H3,(H2,12,15).
What are the key properties of N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide?
N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide has a molecular weight of 225.22 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 103101741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).