2-fluoro-N-methoxy-N-methylpyridine-4-carboxamide;2-fluoropyridine-4-carboxylic acid;1-(2-fluoro-4-pyridinyl)ethanone;N-methoxymethanamine;1-[2-(methylamino)-4-pyridinyl]ethanone;hydrochloride

C31H37ClF3N7O7 — CID 167642433

IUPAC2-fluoro-N-methoxy-N-methylpyridine-4-carboxamide;2-fluoropyridine-4-carboxylic acid;1-(2-fluoro-4-pyridinyl)ethanone;N-methoxymethanamine;1-[2-(methylamino)-4-pyridinyl]ethanone;hydrochloride
SMILESCC(=O)c1ccnc(F)c1.CNOC.CNc1cc(C(C)=O)ccn1.CON(C)C(=O)c1ccnc(F)c1.Cl.O=C(O)c1ccnc(F)c1
InChIInChI=1S/C8H9FN2O2.C8H10N2O.C7H6FNO.C6H4FNO2.C2H7NO.ClH/c1-11(13-2)8(12)6-3-4-10-7(9)5-6;1-6(11)7-3-4-10-8(5-7)9-2;1-5(10)6-2-3-9-7(8)4-6;7-5-3-4(6(9)10)1-2-8-5;1-3-4-2;/h3-5H,1-2H3;3-5H,1-2H3,(H,9,10);2-4H,1H3;1-3H,(H,9,10);3H,1-2H3;1H
InChIKeyBQHLUTKFGHSCES-UHFFFAOYSA-N
MW712.13 g/mol
LogP4.71
Rot. Bonds7

About 2-fluoro-N-methoxy-N-methylpyridine-4-carboxamide;2-fluoropyridine-4-carboxylic acid;1-(2-fluoro-4-pyridinyl)ethanone;N-methoxymethanamine;1-[2-(methylamino)-4-pyridinyl]ethanone;hydrochloride

2-fluoro-N-methoxy-N-methylpyridine-4-carboxamide;2-fluoropyridine-4-carboxylic acid;1-(2-fluoro-4-pyridinyl)ethanone;N-methoxymethanamine;1-[2-(methylamino)-4-pyridinyl]ethanone;hydrochloride (PubChem CID 167642433) has the molecular formula C31H37ClF3N7O7 and a molecular weight of 712.13 g/mol. Its IUPAC name is 2-fluoro-N-methoxy-N-methylpyridine-4-carboxamide;2-fluoropyridine-4-carboxylic acid;1-(2-fluoro-4-pyridinyl)ethanone;N-methoxymethanamine;1-[2-(methylamino)-4-pyridinyl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N-methoxy-N-methylpyridine-4-carboxamide;2-fluoropyridine-4-carboxylic acid;1-(2-fluoro-4-pyridinyl)ethanone;N-methoxymethanamine;1-[2-(methylamino)-4-pyridinyl]ethanone;hydrochloride
PubChem CID167642433
Molecular FormulaC31H37ClF3N7O7
Molecular Weight712.13 g/mol
Exact Mass711.24
IUPAC Name2-fluoro-N-methoxy-N-methylpyridine-4-carboxamide;2-fluoropyridine-4-carboxylic acid;1-(2-fluoro-4-pyridinyl)ethanone;N-methoxymethanamine;1-[2-(methylamino)-4-pyridinyl]ethanone;hydrochloride
SMILESCC(=O)c1ccnc(F)c1.CNOC.CNc1cc(C(C)=O)ccn1.CON(C)C(=O)c1ccnc(F)c1.Cl.O=C(O)c1ccnc(F)c1
InChIInChI=1S/C8H9FN2O2.C8H10N2O.C7H6FNO.C6H4FNO2.C2H7NO.ClH/c1-11(13-2)8(12)6-3-4-10-7(9)5-6;1-6(11)7-3-4-10-8(5-7)9-2;1-5(10)6-2-3-9-7(8)4-6;7-5-3-4(6(9)10)1-2-8-5;1-3-4-2;/h3-5H,1-2H3;3-5H,1-2H3,(H,9,10);2-4H,1H3;1-3H,(H,9,10);3H,1-2H3;1H
InChIKeyBQHLUTKFGHSCES-UHFFFAOYSA-N
XLogP4.71
TPSA185.83 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.13
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-methoxy-N-methylpyridine-4-carboxamide;2-fluoropyridine-4-carboxylic acid;1-(2-fluoro-4-pyridinyl)ethanone;N-methoxymethanamine;1-[2-(methylamino)-4-pyridinyl]ethanone;hydrochloride with MolForge

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Related Compounds

2-(aminomethyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 114326324
N-ethyl-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62170484
3-bromo-5-fluorobenzoic acid;3-bromo-5-fluoro-N-methoxy-N-methylbenzamide;N-methoxymethanamine
CID 159093782
N-methoxy-2-(2-methoxyethoxy)-N-methylpyridine-4-carboxamide
CID 119100133
N-cyclopropyl-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62168437
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 55046834
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 61293111
N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide
CID 63693462
2-fluoro-N-methyl-N-propylpyridine-4-carboxamide
CID 61293439
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 61293810
2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 62641304
N-ethyl-N-(2-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 62174207

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methoxy-N-methylpyridine-4-carboxamide;2-fluoropyridine-4-carboxylic acid;1-(2-fluoro-4-pyridinyl)ethanone;N-methoxymethanamine;1-[2-(methylamino)-4-pyridinyl]ethanone;hydrochloride?
The IUPAC name of 2-fluoro-N-methoxy-N-methylpyridine-4-carboxamide;2-fluoropyridine-4-carboxylic acid;1-(2-fluoro-4-pyridinyl)ethanone;N-methoxymethanamine;1-[2-(methylamino)-4-pyridinyl]ethanone;hydrochloride (CID 167642433) is 2-fluoro-N-methoxy-N-methylpyridine-4-carboxamide;2-fluoropyridine-4-carboxylic acid;1-(2-fluoro-4-pyridinyl)ethanone;N-methoxymethanamine;1-[2-(methylamino)-4-pyridinyl]ethanone;hydrochloride.
What is the SMILES notation for 2-fluoro-N-methoxy-N-methylpyridine-4-carboxamide;2-fluoropyridine-4-carboxylic acid;1-(2-fluoro-4-pyridinyl)ethanone;N-methoxymethanamine;1-[2-(methylamino)-4-pyridinyl]ethanone;hydrochloride?
The canonical SMILES for 2-fluoro-N-methoxy-N-methylpyridine-4-carboxamide;2-fluoropyridine-4-carboxylic acid;1-(2-fluoro-4-pyridinyl)ethanone;N-methoxymethanamine;1-[2-(methylamino)-4-pyridinyl]ethanone;hydrochloride is CC(=O)c1ccnc(F)c1.CNOC.CNc1cc(C(C)=O)ccn1.CON(C)C(=O)c1ccnc(F)c1.Cl.O=C(O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-methoxy-N-methylpyridine-4-carboxamide;2-fluoropyridine-4-carboxylic acid;1-(2-fluoro-4-pyridinyl)ethanone;N-methoxymethanamine;1-[2-(methylamino)-4-pyridinyl]ethanone;hydrochloride?
The InChIKey is BQHLUTKFGHSCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2.C8H10N2O.C7H6FNO.C6H4FNO2.C2H7NO.ClH/c1-11(13-2)8(12)6-3-4-10-7(9)5-6;1-6(11)7-3-4-10-8(5-7)9-2;1-5(10)6-2-3-9-7(8)4-6;7-5-3-4(6(9)10)1-2-8-5;1-3-4-2;/h3-5H,1-2H3;3-5H,1-2H3,(H,9,10);2-4H,1H3;1-3H,(H,9,10);3H,1-2H3;1H.
What are the key properties of 2-fluoro-N-methoxy-N-methylpyridine-4-carboxamide;2-fluoropyridine-4-carboxylic acid;1-(2-fluoro-4-pyridinyl)ethanone;N-methoxymethanamine;1-[2-(methylamino)-4-pyridinyl]ethanone;hydrochloride?
2-fluoro-N-methoxy-N-methylpyridine-4-carboxamide;2-fluoropyridine-4-carboxylic acid;1-(2-fluoro-4-pyridinyl)ethanone;N-methoxymethanamine;1-[2-(methylamino)-4-pyridinyl]ethanone;hydrochloride has a molecular weight of 712.13 g/mol, XLogP of 4.71, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methoxy-N-methylpyridine-4-carboxamide;2-fluoropyridine-4-carboxylic acid;1-(2-fluoro-4-pyridinyl)ethanone;N-methoxymethanamine;1-[2-(methylamino)-4-pyridinyl]ethanone;hydrochloride is sourced from PubChem (CID 167642433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).