2-amino-6-fluoro-N-(3-hept-2-ynoxyphenyl)-5-methylpyridine-3-carboxamide

C20H22FN3O2 — CID 150489878

IUPAC2-amino-6-fluoro-N-(3-hept-2-ynoxyphenyl)-5-methylpyridine-3-carboxamide
SMILESCCCCC#CCOc1cccc(NC(=O)c2cc(C)c(F)nc2N)c1
InChIInChI=1S/C20H22FN3O2/c1-3-4-5-6-7-11-26-16-10-8-9-15(13-16)23-20(25)17-12-14(2)18(21)24-19(17)22/h8-10,12-13H,3-5,11H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyHVOOCJVCNDIXCJ-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.94
Rot. Bonds6

About 2-amino-6-fluoro-N-(3-hept-2-ynoxyphenyl)-5-methylpyridine-3-carboxamide

2-amino-6-fluoro-N-(3-hept-2-ynoxyphenyl)-5-methylpyridine-3-carboxamide (PubChem CID 150489878) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(3-hept-2-ynoxyphenyl)-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(3-hept-2-ynoxyphenyl)-5-methylpyridine-3-carboxamide
PubChem CID150489878
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name2-amino-6-fluoro-N-(3-hept-2-ynoxyphenyl)-5-methylpyridine-3-carboxamide
SMILESCCCCC#CCOc1cccc(NC(=O)c2cc(C)c(F)nc2N)c1
InChIInChI=1S/C20H22FN3O2/c1-3-4-5-6-7-11-26-16-10-8-9-15(13-16)23-20(25)17-12-14(2)18(21)24-19(17)22/h8-10,12-13H,3-5,11H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyHVOOCJVCNDIXCJ-UHFFFAOYSA-N
XLogP3.94
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-fluoro-5-methyl-N-(3-pent-2-ynoxyphenyl)pyridine-3-carboxamide
CID 150267514
2-amino-N-[4-(2-ethoxyphenoxy)phenyl]-6-fluoro-5-methylpyridine-3-carboxamide
CID 152636020
2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide
CID 150972391
5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride
CID 120625137
2-amino-N-[3-(2-fluorophenoxy)phenyl]-5,6-dimethylpyridine-3-carboxamide
CID 151119836
2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide
CID 152730865
2-fluoro-N-(3-hexoxyphenyl)benzamide
CID 17094825
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-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380453
2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide
CID 61103168
N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide
CID 43369137

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(3-hept-2-ynoxyphenyl)-5-methylpyridine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-(3-hept-2-ynoxyphenyl)-5-methylpyridine-3-carboxamide (CID 150489878) is 2-amino-6-fluoro-N-(3-hept-2-ynoxyphenyl)-5-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-(3-hept-2-ynoxyphenyl)-5-methylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-(3-hept-2-ynoxyphenyl)-5-methylpyridine-3-carboxamide is CCCCC#CCOc1cccc(NC(=O)c2cc(C)c(F)nc2N)c1.
What is the InChIKey of 2-amino-6-fluoro-N-(3-hept-2-ynoxyphenyl)-5-methylpyridine-3-carboxamide?
The InChIKey is HVOOCJVCNDIXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-3-4-5-6-7-11-26-16-10-8-9-15(13-16)23-20(25)17-12-14(2)18(21)24-19(17)22/h8-10,12-13H,3-5,11H2,1-2H3,(H2,22,24)(H,23,25).
What are the key properties of 2-amino-6-fluoro-N-(3-hept-2-ynoxyphenyl)-5-methylpyridine-3-carboxamide?
2-amino-6-fluoro-N-(3-hept-2-ynoxyphenyl)-5-methylpyridine-3-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-(3-hept-2-ynoxyphenyl)-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 150489878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).