6-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(2-methoxy-3-pyridinyl)pyridine-2,6-diamine

C18H18FN5O — CID 90409649

IUPAC6-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(2-methoxy-3-pyridinyl)pyridine-2,6-diamine
SMILESCOc1ncccc1Nc1cccc(NC(C)c2ccc(F)cn2)n1
InChIInChI=1S/C18H18FN5O/c1-12(14-9-8-13(19)11-21-14)22-16-6-3-7-17(24-16)23-15-5-4-10-20-18(15)25-2/h3-12H,1-2H3,(H2,22,23,24)
InChIKeyLMACAKONTPLWIE-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.94
Rot. Bonds6

About 6-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(2-methoxy-3-pyridinyl)pyridine-2,6-diamine

6-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(2-methoxy-3-pyridinyl)pyridine-2,6-diamine (PubChem CID 90409649) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 6-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(2-methoxy-3-pyridinyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(2-methoxy-3-pyridinyl)pyridine-2,6-diamine
PubChem CID90409649
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name6-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(2-methoxy-3-pyridinyl)pyridine-2,6-diamine
SMILESCOc1ncccc1Nc1cccc(NC(C)c2ccc(F)cn2)n1
InChIInChI=1S/C18H18FN5O/c1-12(14-9-8-13(19)11-21-14)22-16-6-3-7-17(24-16)23-15-5-4-10-20-18(15)25-2/h3-12H,1-2H3,(H2,22,23,24)
InChIKeyLMACAKONTPLWIE-UHFFFAOYSA-N
XLogP3.94
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(2-methoxy-3-pyridinyl)pyridine-2,6-diamine with MolForge

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 83118259
2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine
CID 89400370
3-[[6-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazin-2-yl]amino]-1H-pyridin-2-one
CID 71245061
N-[1-(5-fluoro-2-pyridinyl)propyl]-2-propan-2-yloxypyridin-3-amine
CID 115938692
6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxy-3-pyridinyl)-2H-pyrazine-2,6-diamine
CID 90409440
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
2-N-(5-chloro-2-methoxy-3-pyridinyl)-6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-5-methylpyridine-2,3,6-triamine
CID 86702337
2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83118159
N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-2-methoxypyridin-3-amine
CID 99776830
9-[1-(5-fluoro-2-pyridinyl)ethyl]-2-[(2-methoxy-3-pyridinyl)amino]-7-(2-trimethylsilylethoxymethyl)purin-8-one
CID 90218214
N-[1-(2-fluorophenyl)ethyl]-2-methoxypyridin-3-amine
CID 43721902
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline
CID 83118189

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(2-methoxy-3-pyridinyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(2-methoxy-3-pyridinyl)pyridine-2,6-diamine (CID 90409649) is 6-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(2-methoxy-3-pyridinyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(2-methoxy-3-pyridinyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(2-methoxy-3-pyridinyl)pyridine-2,6-diamine is COc1ncccc1Nc1cccc(NC(C)c2ccc(F)cn2)n1.
What is the InChIKey of 6-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(2-methoxy-3-pyridinyl)pyridine-2,6-diamine?
The InChIKey is LMACAKONTPLWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-12(14-9-8-13(19)11-21-14)22-16-6-3-7-17(24-16)23-15-5-4-10-20-18(15)25-2/h3-12H,1-2H3,(H2,22,23,24).
What are the key properties of 6-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(2-methoxy-3-pyridinyl)pyridine-2,6-diamine?
6-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(2-methoxy-3-pyridinyl)pyridine-2,6-diamine has a molecular weight of 339.37 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(2-methoxy-3-pyridinyl)pyridine-2,6-diamine is sourced from PubChem (CID 90409649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).