N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine

C16H26FN3O — CID 105389566

IUPACN-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
SMILESCCC(C)N(CCOC)c1nccc(CNC2CC2)c1F
InChIInChI=1S/C16H26FN3O/c1-4-12(2)20(9-10-21-3)16-15(17)13(7-8-18-16)11-19-14-5-6-14/h7-8,12,14,19H,4-6,9-11H2,1-3H3
InChIKeyABJOLCDHANUTAN-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.72
Rot. Bonds9

About N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine

N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine (PubChem CID 105389566) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
PubChem CID105389566
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC NameN-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
SMILESCCC(C)N(CCOC)c1nccc(CNC2CC2)c1F
InChIInChI=1S/C16H26FN3O/c1-4-12(2)20(9-10-21-3)16-15(17)13(7-8-18-16)11-19-14-5-6-14/h7-8,12,14,19H,4-6,9-11H2,1-3H3
InChIKeyABJOLCDHANUTAN-UHFFFAOYSA-N
XLogP2.72
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-4-(chloromethyl)-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105383553
N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105388956
4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389047
N-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine
CID 105389718
N-[[2-(1-ethoxypropan-2-yloxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 103490368
4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 105390479
N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105389714
4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 105389282
3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine
CID 82953192
N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
CID 105389291
N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine
CID 105383556
N-[[2-[[butan-2-yl(2-methoxyethyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62462065

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine?
The IUPAC name of N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine (CID 105389566) is N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine?
The canonical SMILES for N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine is CCC(C)N(CCOC)c1nccc(CNC2CC2)c1F.
What is the InChIKey of N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine?
The InChIKey is ABJOLCDHANUTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-4-12(2)20(9-10-21-3)16-15(17)13(7-8-18-16)11-19-14-5-6-14/h7-8,12,14,19H,4-6,9-11H2,1-3H3.
What are the key properties of N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine?
N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine has a molecular weight of 295.40 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine is sourced from PubChem (CID 105389566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).