5-fluoro-2-(3-methoxyanilino)-N-[(3S)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide

C19H20FN3O2 — CID 118392722

IUPAC5-fluoro-2-(3-methoxyanilino)-N-[(3S)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide
SMILESC#C[C@](C)(CC)NC(=O)c1cc(F)cnc1Nc1cccc(OC)c1
InChIInChI=1S/C19H20FN3O2/c1-5-19(3,6-2)23-18(24)16-10-13(20)12-21-17(16)22-14-8-7-9-15(11-14)25-4/h1,7-12H,6H2,2-4H3,(H,21,22)(H,23,24)/t19-/m1/s1
InChIKeyLASSHGKKXRMTSZ-LJQANCHMSA-N
MW341.39 g/mol
LogP3.50
Rot. Bonds6

About 5-fluoro-2-(3-methoxyanilino)-N-[(3S)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide

5-fluoro-2-(3-methoxyanilino)-N-[(3S)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide (PubChem CID 118392722) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 5-fluoro-2-(3-methoxyanilino)-N-[(3S)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-(3-methoxyanilino)-N-[(3S)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide
PubChem CID118392722
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name5-fluoro-2-(3-methoxyanilino)-N-[(3S)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide
SMILESC#C[C@](C)(CC)NC(=O)c1cc(F)cnc1Nc1cccc(OC)c1
InChIInChI=1S/C19H20FN3O2/c1-5-19(3,6-2)23-18(24)16-10-13(20)12-21-17(16)22-14-8-7-9-15(11-14)25-4/h1,7-12H,6H2,2-4H3,(H,21,22)(H,23,24)/t19-/m1/s1
InChIKeyLASSHGKKXRMTSZ-LJQANCHMSA-N
XLogP3.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methoxyanilino)-N-[(3S)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-2-(3-methoxyanilino)-N-[(3S)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide (CID 118392722) is 5-fluoro-2-(3-methoxyanilino)-N-[(3S)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-(3-methoxyanilino)-N-[(3S)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-2-(3-methoxyanilino)-N-[(3S)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide is C#C[C@](C)(CC)NC(=O)c1cc(F)cnc1Nc1cccc(OC)c1.
What is the InChIKey of 5-fluoro-2-(3-methoxyanilino)-N-[(3S)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide?
The InChIKey is LASSHGKKXRMTSZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-5-19(3,6-2)23-18(24)16-10-13(20)12-21-17(16)22-14-8-7-9-15(11-14)25-4/h1,7-12H,6H2,2-4H3,(H,21,22)(H,23,24)/t19-/m1/s1.
What are the key properties of 5-fluoro-2-(3-methoxyanilino)-N-[(3S)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide?
5-fluoro-2-(3-methoxyanilino)-N-[(3S)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methoxyanilino)-N-[(3S)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118392722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).