2-amino-N-(3-but-3-enoxy-2-fluorophenyl)-4-methylpyridine-3-carboxamide

C17H18FN3O2 — CID 174610701

IUPAC2-amino-N-(3-but-3-enoxy-2-fluorophenyl)-4-methylpyridine-3-carboxamide
SMILESC=CCCOc1cccc(NC(=O)c2c(C)ccnc2N)c1F
InChIInChI=1S/C17H18FN3O2/c1-3-4-10-23-13-7-5-6-12(15(13)18)21-17(22)14-11(2)8-9-20-16(14)19/h3,5-9H,1,4,10H2,2H3,(H2,19,20)(H,21,22)
InChIKeyOERSGVKDIYLFFC-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.32
Rot. Bonds6

About 2-amino-N-(3-but-3-enoxy-2-fluorophenyl)-4-methylpyridine-3-carboxamide

2-amino-N-(3-but-3-enoxy-2-fluorophenyl)-4-methylpyridine-3-carboxamide (PubChem CID 174610701) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-amino-N-(3-but-3-enoxy-2-fluorophenyl)-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-but-3-enoxy-2-fluorophenyl)-4-methylpyridine-3-carboxamide
PubChem CID174610701
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name2-amino-N-(3-but-3-enoxy-2-fluorophenyl)-4-methylpyridine-3-carboxamide
SMILESC=CCCOc1cccc(NC(=O)c2c(C)ccnc2N)c1F
InChIInChI=1S/C17H18FN3O2/c1-3-4-10-23-13-7-5-6-12(15(13)18)21-17(22)14-11(2)8-9-20-16(14)19/h3,5-9H,1,4,10H2,2H3,(H2,19,20)(H,21,22)
InChIKeyOERSGVKDIYLFFC-UHFFFAOYSA-N
XLogP3.32
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-but-3-enoxy-2-fluorophenyl)-4-methylpyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(3-but-3-enoxy-2-fluorophenyl)-4-methylpyridine-3-carboxamide (CID 174610701) is 2-amino-N-(3-but-3-enoxy-2-fluorophenyl)-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(3-but-3-enoxy-2-fluorophenyl)-4-methylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(3-but-3-enoxy-2-fluorophenyl)-4-methylpyridine-3-carboxamide is C=CCCOc1cccc(NC(=O)c2c(C)ccnc2N)c1F.
What is the InChIKey of 2-amino-N-(3-but-3-enoxy-2-fluorophenyl)-4-methylpyridine-3-carboxamide?
The InChIKey is OERSGVKDIYLFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-3-4-10-23-13-7-5-6-12(15(13)18)21-17(22)14-11(2)8-9-20-16(14)19/h3,5-9H,1,4,10H2,2H3,(H2,19,20)(H,21,22).
What are the key properties of 2-amino-N-(3-but-3-enoxy-2-fluorophenyl)-4-methylpyridine-3-carboxamide?
2-amino-N-(3-but-3-enoxy-2-fluorophenyl)-4-methylpyridine-3-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-but-3-enoxy-2-fluorophenyl)-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 174610701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).