2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide

C14H14FN3O2 — CID 47142435

IUPAC2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide
SMILESCON(C)C(=O)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C14H14FN3O2/c1-18(20-2)14(19)10-6-5-9-16-13(10)17-12-8-4-3-7-11(12)15/h3-9H,1-2H3,(H,16,17)
InChIKeyDMPKMZWOCBEFPP-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.60
Rot. Bonds4

About 2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide

2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide (PubChem CID 47142435) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide
PubChem CID47142435
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide
SMILESCON(C)C(=O)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C14H14FN3O2/c1-18(20-2)14(19)10-6-5-9-16-13(10)17-12-8-4-3-7-11(12)15/h3-9H,1-2H3,(H,16,17)
InChIKeyDMPKMZWOCBEFPP-UHFFFAOYSA-N
XLogP2.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate
CID 134008874
N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 119625766
2-(2-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 23632516
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632658
2-(2-fluoroanilino)-N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide
CID 90093021
phenacyl 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 41030181
2-chloro-N-methoxy-N-methylpyridine-3-carboxamide
CID 10236076
2-(2-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632686
2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 23632878
2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1441150
2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 51335853
2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride
CID 120890702

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide (CID 47142435) is 2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide is CON(C)C(=O)c1cccnc1Nc1ccccc1F.
What is the InChIKey of 2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide?
The InChIKey is DMPKMZWOCBEFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-18(20-2)14(19)10-6-5-9-16-13(10)17-12-8-4-3-7-11(12)15/h3-9H,1-2H3,(H,16,17).
What are the key properties of 2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide?
2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 47142435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).