N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide

C12H16FN3O2 — CID 61292713

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide
SMILESCCN(CC(=O)N(C)C)C(=O)c1ccnc(F)c1
InChIInChI=1S/C12H16FN3O2/c1-4-16(8-11(17)15(2)3)12(18)9-5-6-14-10(13)7-9/h5-7H,4,8H2,1-3H3
InChIKeyZWYBTRSIXXADQZ-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.77
Rot. Bonds4

About N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide (PubChem CID 61292713) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide
PubChem CID61292713
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide
SMILESCCN(CC(=O)N(C)C)C(=O)c1ccnc(F)c1
InChIInChI=1S/C12H16FN3O2/c1-4-16(8-11(17)15(2)3)12(18)9-5-6-14-10(13)7-9/h5-7H,4,8H2,1-3H3
InChIKeyZWYBTRSIXXADQZ-UHFFFAOYSA-N
XLogP0.77
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.77
H-Bond Donors ≤ 50
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-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide
CID 103101741
N-ethyl-2-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 61293621
methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 103633415
N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide
CID 61292893
ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate
CID 55007165
2-fluoro-N-methyl-N-propylpyridine-4-carboxamide
CID 61293439
N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide
CID 63693462
3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide
CID 56812632
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide
CID 94811507
2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
CID 61294360
2-[[2-(dimethylamino)pyridine-4-carbonyl]-ethylamino]acetic acid
CID 61021274
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 61293111

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide (CID 61292713) is N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide is CCN(CC(=O)N(C)C)C(=O)c1ccnc(F)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide?
The InChIKey is ZWYBTRSIXXADQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-4-16(8-11(17)15(2)3)12(18)9-5-6-14-10(13)7-9/h5-7H,4,8H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide has a molecular weight of 253.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 61292713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).