6-chloro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]pyridine-2-carboxamide

C19H19ClFN3O2 — CID 166896822

IUPAC6-chloro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]pyridine-2-carboxamide
SMILESC=C(CCNC(=O)c1cccc(Cl)n1)[C@@H](C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H19ClFN3O2/c1-12(10-11-22-19(26)16-4-3-5-17(20)24-16)13(2)18(25)23-15-8-6-14(21)7-9-15/h3-9,13H,1,10-11H2,2H3,(H,22,26)(H,23,25)/t13-/m1/s1
InChIKeyWEWYBOXSVGQDMD-CYBMUJFWSA-N
MW375.83 g/mol
LogP3.83
Rot. Bonds7

About 6-chloro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]pyridine-2-carboxamide

6-chloro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]pyridine-2-carboxamide (PubChem CID 166896822) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is 6-chloro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]pyridine-2-carboxamide
PubChem CID166896822
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC Name6-chloro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]pyridine-2-carboxamide
SMILESC=C(CCNC(=O)c1cccc(Cl)n1)[C@@H](C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H19ClFN3O2/c1-12(10-11-22-19(26)16-4-3-5-17(20)24-16)13(2)18(25)23-15-8-6-14(21)7-9-15/h3-9,13H,1,10-11H2,2H3,(H,22,26)(H,23,25)/t13-/m1/s1
InChIKeyWEWYBOXSVGQDMD-CYBMUJFWSA-N
XLogP3.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]pyridine-2-carboxamide (CID 166896822) is 6-chloro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]pyridine-2-carboxamide is C=C(CCNC(=O)c1cccc(Cl)n1)[C@@H](C)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 6-chloro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]pyridine-2-carboxamide?
The InChIKey is WEWYBOXSVGQDMD-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19ClFN3O2/c1-12(10-11-22-19(26)16-4-3-5-17(20)24-16)13(2)18(25)23-15-8-6-14(21)7-9-15/h3-9,13H,1,10-11H2,2H3,(H,22,26)(H,23,25)/t13-/m1/s1.
What are the key properties of 6-chloro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]pyridine-2-carboxamide?
6-chloro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]pyridine-2-carboxamide has a molecular weight of 375.83 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]pyridine-2-carboxamide is sourced from PubChem (CID 166896822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).