3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide

C15H16FN3O2 — CID 104741328

IUPAC3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ncccc2N)cc1F
InChIInChI=1S/C15H16FN3O2/c1-9(10-5-6-13(21-2)11(16)8-10)19-15(20)14-12(17)4-3-7-18-14/h3-9H,17H2,1-2H3,(H,19,20)
InChIKeyASZBKXDWHAKCHY-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.30
Rot. Bonds4

About 3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide

3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 104741328) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID104741328
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ncccc2N)cc1F
InChIInChI=1S/C15H16FN3O2/c1-9(10-5-6-13(21-2)11(16)8-10)19-15(20)14-12(17)4-3-7-18-14/h3-9H,17H2,1-2H3,(H,19,20)
InChIKeyASZBKXDWHAKCHY-UHFFFAOYSA-N
XLogP2.30
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 107358477
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide
CID 124620638
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
4-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 46828541
3-amino-N-[1-(4-ethylphenyl)ethyl]pyridine-2-carboxamide
CID 104741215
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-pyridin-2-ylacetamide
CID 56704438
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646
2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62794095
2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-phenylpyrimidine-5-carboxamide
CID 74234846
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 18200791
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
CID 104741224

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 104741328) is 3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide is COc1ccc(C(C)NC(=O)c2ncccc2N)cc1F.
What is the InChIKey of 3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is ASZBKXDWHAKCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-9(10-5-6-13(21-2)11(16)8-10)19-15(20)14-12(17)4-3-7-18-14/h3-9H,17H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 104741328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).