4-(4-fluoro-2-methoxyphenyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine

C17H17FN4O — CID 70663503

IUPAC4-(4-fluoro-2-methoxyphenyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine
SMILESCOc1cc(F)ccc1-c1ccncc1NC(C)c1ncc[nH]1
InChIInChI=1S/C17H17FN4O/c1-11(17-20-7-8-21-17)22-15-10-19-6-5-13(15)14-4-3-12(18)9-16(14)23-2/h3-11,22H,1-2H3,(H,20,21)
InChIKeyZBPFVRYKGBISLE-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.79
Rot. Bonds5

About 4-(4-fluoro-2-methoxyphenyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine

4-(4-fluoro-2-methoxyphenyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine (PubChem CID 70663503) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-(4-fluoro-2-methoxyphenyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name4-(4-fluoro-2-methoxyphenyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine
PubChem CID70663503
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name4-(4-fluoro-2-methoxyphenyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine
SMILESCOc1cc(F)ccc1-c1ccncc1NC(C)c1ncc[nH]1
InChIInChI=1S/C17H17FN4O/c1-11(17-20-7-8-21-17)22-15-10-19-6-5-13(15)14-4-3-12(18)9-16(14)23-2/h3-11,22H,1-2H3,(H,20,21)
InChIKeyZBPFVRYKGBISLE-UHFFFAOYSA-N
XLogP3.79
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluoro-2-methoxyphenyl)-N-methylpyridin-3-amine
CID 70663207
N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]acetamide
CID 140628304
2-(5-fluoro-2-methoxyphenyl)-1H-imidazole
CID 55254368
6-N-[1-(1H-imidazol-2-yl)ethyl]isoquinoline-5,6-diamine
CID 106948437
4-(4-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)pyridin-3-amine
CID 70663442
N-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine
CID 106504285
N-[(5-fluoro-2-methoxyphenyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 82769949
4-(4-fluoro-2-phenylmethoxyphenyl)-N-methylpyridin-3-amine
CID 70663307
5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol
CID 63069226
4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 54968451
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 83075673
5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine
CID 107234131

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methoxyphenyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine?
The IUPAC name of 4-(4-fluoro-2-methoxyphenyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine (CID 70663503) is 4-(4-fluoro-2-methoxyphenyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 4-(4-fluoro-2-methoxyphenyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 4-(4-fluoro-2-methoxyphenyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine is COc1cc(F)ccc1-c1ccncc1NC(C)c1ncc[nH]1.
What is the InChIKey of 4-(4-fluoro-2-methoxyphenyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine?
The InChIKey is ZBPFVRYKGBISLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-11(17-20-7-8-21-17)22-15-10-19-6-5-13(15)14-4-3-12(18)9-16(14)23-2/h3-11,22H,1-2H3,(H,20,21).
What are the key properties of 4-(4-fluoro-2-methoxyphenyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine?
4-(4-fluoro-2-methoxyphenyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine has a molecular weight of 312.35 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methoxyphenyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 70663503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).