2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide

C15H16FN3O2 — CID 66843496

IUPAC2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCCOc1cccc(CNC(=O)c2cccnc2N)c1F
InChIInChI=1S/C15H16FN3O2/c1-2-21-12-7-3-5-10(13(12)16)9-19-15(20)11-6-4-8-18-14(11)17/h3-8H,2,9H2,1H3,(H2,17,18)(H,19,20)
InChIKeyNGBPOXKQVXLAOP-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.13
Rot. Bonds5

About 2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide

2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 66843496) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID66843496
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCCOc1cccc(CNC(=O)c2cccnc2N)c1F
InChIInChI=1S/C15H16FN3O2/c1-2-21-12-7-3-5-10(13(12)16)9-19-15(20)11-6-4-8-18-14(11)17/h3-8H,2,9H2,1H3,(H2,17,18)(H,19,20)
InChIKeyNGBPOXKQVXLAOP-UHFFFAOYSA-N
XLogP2.13
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334706
2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843707
2-amino-N-[(2-fluoro-3-hept-6-enoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843382
2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843381
2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844331
2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334708
2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 63791914
2-amino-6-fluoro-N-[(2-fluoro-3-hex-3-enoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843630
2-amino-N-[(2-fluoro-3-heptoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 66844233
2,6-diamino-N-[(2-fluoro-3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 58104467
2-amino-N-[(2-ethoxyphenyl)methyl]benzamide
CID 134085720
2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843405

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide (CID 66843496) is 2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide is CCOc1cccc(CNC(=O)c2cccnc2N)c1F.
What is the InChIKey of 2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is NGBPOXKQVXLAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-2-21-12-7-3-5-10(13(12)16)9-19-15(20)11-6-4-8-18-14(11)17/h3-8H,2,9H2,1H3,(H2,17,18)(H,19,20).
What are the key properties of 2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide?
2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66843496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).