N-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide

C12H16FN3O2 — CID 112696045

IUPACN-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide
SMILESCCN(CC)C(=O)CNC(=O)c1ccc(F)nc1
InChIInChI=1S/C12H16FN3O2/c1-3-16(4-2)11(17)8-15-12(18)9-5-6-10(13)14-7-9/h5-7H,3-4,8H2,1-2H3,(H,15,18)
InChIKeyMWVHEMSISDRAKG-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.82
Rot. Bonds5

About N-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide

N-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide (PubChem CID 112696045) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide
PubChem CID112696045
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide
SMILESCCN(CC)C(=O)CNC(=O)c1ccc(F)nc1
InChIInChI=1S/C12H16FN3O2/c1-3-16(4-2)11(17)8-15-12(18)9-5-6-10(13)14-7-9/h5-7H,3-4,8H2,1-2H3,(H,15,18)
InChIKeyMWVHEMSISDRAKG-UHFFFAOYSA-N
XLogP0.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.82
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

2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid
CID 175904627
N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide
CID 115668746
N-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide
CID 103719344
N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 34837733
N-ethyl-6-fluoro-N-methylpyridine-3-carboxamide
CID 63972560
6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450
N-[2-(diethylamino)-2-oxoethyl]-2,3-difluoropyridine-4-carboxamide
CID 105381540
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-3-carboxamide
CID 63977817
N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide
CID 63973943
N-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide
CID 63979001
6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 115746110
5-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid
CID 114134244

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide (CID 112696045) is N-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide is CCN(CC)C(=O)CNC(=O)c1ccc(F)nc1.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide?
The InChIKey is MWVHEMSISDRAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-3-16(4-2)11(17)8-15-12(18)9-5-6-10(13)14-7-9/h5-7H,3-4,8H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide?
N-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide has a molecular weight of 253.28 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 112696045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).