4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine

C16H19FN4 — CID 105389144

IUPAC4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESCN(Cc1cccnc1)c1nccc(CNC2CC2)c1F
InChIInChI=1S/C16H19FN4/c1-21(11-12-3-2-7-18-9-12)16-15(17)13(6-8-19-16)10-20-14-4-5-14/h2-3,6-9,14,20H,4-5,10-11H2,1H3
InChIKeyANZVOENGJZPILE-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.50
Rot. Bonds6

About 4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine

4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine (PubChem CID 105389144) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
PubChem CID105389144
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESCN(Cc1cccnc1)c1nccc(CNC2CC2)c1F
InChIInChI=1S/C16H19FN4/c1-21(11-12-3-2-7-18-9-12)16-15(17)13(6-8-19-16)10-20-14-4-5-14/h2-3,6-9,14,20H,4-5,10-11H2,1H3
InChIKeyANZVOENGJZPILE-UHFFFAOYSA-N
XLogP2.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 105388812
4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389047
N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105388956
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105073052
[2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61255832
N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62284947
4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 105390479
4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 105389282
4-(aminomethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridazin-3-amine
CID 80507616
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105389320
N-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62433595

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine (CID 105389144) is 4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine is CN(Cc1cccnc1)c1nccc(CNC2CC2)c1F.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The InChIKey is ANZVOENGJZPILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c1-21(11-12-3-2-7-18-9-12)16-15(17)13(6-8-19-16)10-20-14-4-5-14/h2-3,6-9,14,20H,4-5,10-11H2,1H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine?
4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine has a molecular weight of 286.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 105389144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).