2-amino-N-[(3-but-2-enoxy-2-fluorophenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide

C19H22FN3O3 — CID 66843035

IUPAC2-amino-N-[(3-but-2-enoxy-2-fluorophenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
SMILESCC=CCOc1cccc(CNC(=O)c2ccc(COC)nc2N)c1F
InChIInChI=1S/C19H22FN3O3/c1-3-4-10-26-16-7-5-6-13(17(16)20)11-22-19(24)15-9-8-14(12-25-2)23-18(15)21/h3-9H,10-12H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyCYXRUWNYPZDNTH-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.83
Rot. Bonds8

About 2-amino-N-[(3-but-2-enoxy-2-fluorophenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide

2-amino-N-[(3-but-2-enoxy-2-fluorophenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide (PubChem CID 66843035) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-amino-N-[(3-but-2-enoxy-2-fluorophenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-but-2-enoxy-2-fluorophenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
PubChem CID66843035
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name2-amino-N-[(3-but-2-enoxy-2-fluorophenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
SMILESCC=CCOc1cccc(CNC(=O)c2ccc(COC)nc2N)c1F
InChIInChI=1S/C19H22FN3O3/c1-3-4-10-26-16-7-5-6-13(17(16)20)11-22-19(24)15-9-8-14(12-25-2)23-18(15)21/h3-9H,10-12H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyCYXRUWNYPZDNTH-UHFFFAOYSA-N
XLogP2.83
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(2-fluoro-3-hex-4-enoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843815
2-amino-N-[(2-fluoro-3-hept-5-enoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66844010
2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843405
2-amino-N-[(2-fluoro-3-pent-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 87176385
2-amino-N-[(2-fluoro-3-hex-5-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 87176359
2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844331
2-amino-N-[(2-fluoro-3-pent-3-enoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 66843780
2,6-diamino-N-[(2-fluoro-3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 58104467
2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843381
2-amino-6-fluoro-N-[(2-fluoro-3-hex-3-enoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843630
2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843707
N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-1,5-naphthyridine-2-carboxamide
CID 143837278

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-but-2-enoxy-2-fluorophenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(3-but-2-enoxy-2-fluorophenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide (CID 66843035) is 2-amino-N-[(3-but-2-enoxy-2-fluorophenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-but-2-enoxy-2-fluorophenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(3-but-2-enoxy-2-fluorophenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide is CC=CCOc1cccc(CNC(=O)c2ccc(COC)nc2N)c1F.
What is the InChIKey of 2-amino-N-[(3-but-2-enoxy-2-fluorophenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide?
The InChIKey is CYXRUWNYPZDNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-3-4-10-26-16-7-5-6-13(17(16)20)11-22-19(24)15-9-8-14(12-25-2)23-18(15)21/h3-9H,10-12H2,1-2H3,(H2,21,23)(H,22,24).
What are the key properties of 2-amino-N-[(3-but-2-enoxy-2-fluorophenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide?
2-amino-N-[(3-but-2-enoxy-2-fluorophenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-but-2-enoxy-2-fluorophenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 66843035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).