2-amino-6-fluoro-5-methyl-N-(3-pent-2-ynoxyphenyl)pyridine-3-carboxamide

C18H18FN3O2 — CID 150267514

IUPAC2-amino-6-fluoro-5-methyl-N-(3-pent-2-ynoxyphenyl)pyridine-3-carboxamide
SMILESCCC#CCOc1cccc(NC(=O)c2cc(C)c(F)nc2N)c1
InChIInChI=1S/C18H18FN3O2/c1-3-4-5-9-24-14-8-6-7-13(11-14)21-18(23)15-10-12(2)16(19)22-17(15)20/h6-8,10-11H,3,9H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyGCVYUYZIRSYJPU-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.16
Rot. Bonds4

About 2-amino-6-fluoro-5-methyl-N-(3-pent-2-ynoxyphenyl)pyridine-3-carboxamide

2-amino-6-fluoro-5-methyl-N-(3-pent-2-ynoxyphenyl)pyridine-3-carboxamide (PubChem CID 150267514) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-amino-6-fluoro-5-methyl-N-(3-pent-2-ynoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-5-methyl-N-(3-pent-2-ynoxyphenyl)pyridine-3-carboxamide
PubChem CID150267514
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-amino-6-fluoro-5-methyl-N-(3-pent-2-ynoxyphenyl)pyridine-3-carboxamide
SMILESCCC#CCOc1cccc(NC(=O)c2cc(C)c(F)nc2N)c1
InChIInChI=1S/C18H18FN3O2/c1-3-4-5-9-24-14-8-6-7-13(11-14)21-18(23)15-10-12(2)16(19)22-17(15)20/h6-8,10-11H,3,9H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyGCVYUYZIRSYJPU-UHFFFAOYSA-N
XLogP3.16
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-fluoro-N-(3-hept-2-ynoxyphenyl)-5-methylpyridine-3-carboxamide
CID 150489878
2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide
CID 150972391
2-amino-N-[4-(2-ethoxyphenoxy)phenyl]-6-fluoro-5-methylpyridine-3-carboxamide
CID 152636020
2-amino-N-[3-(2-fluorophenoxy)phenyl]-5,6-dimethylpyridine-3-carboxamide
CID 151119836
2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide
CID 61103168
2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide
CID 152730865
2-amino-N-(3-hept-4-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide
CID 152720757
N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide
CID 81481242
N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide
CID 43369137
N-(3-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380453
2-amino-N-[3-(cyanomethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62793420
ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-5-methyl-N-(3-pent-2-ynoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-5-methyl-N-(3-pent-2-ynoxyphenyl)pyridine-3-carboxamide (CID 150267514) is 2-amino-6-fluoro-5-methyl-N-(3-pent-2-ynoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-5-methyl-N-(3-pent-2-ynoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-5-methyl-N-(3-pent-2-ynoxyphenyl)pyridine-3-carboxamide is CCC#CCOc1cccc(NC(=O)c2cc(C)c(F)nc2N)c1.
What is the InChIKey of 2-amino-6-fluoro-5-methyl-N-(3-pent-2-ynoxyphenyl)pyridine-3-carboxamide?
The InChIKey is GCVYUYZIRSYJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-3-4-5-9-24-14-8-6-7-13(11-14)21-18(23)15-10-12(2)16(19)22-17(15)20/h6-8,10-11H,3,9H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of 2-amino-6-fluoro-5-methyl-N-(3-pent-2-ynoxyphenyl)pyridine-3-carboxamide?
2-amino-6-fluoro-5-methyl-N-(3-pent-2-ynoxyphenyl)pyridine-3-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-5-methyl-N-(3-pent-2-ynoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 150267514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).