N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)azetidin-1-yl]pyridin-2-amine

C16H19FN4 — CID 58227172

IUPACN-[(4-fluorophenyl)methyl]-4-[3-(methylamino)azetidin-1-yl]pyridin-2-amine
SMILESCNC1CN(c2ccnc(NCc3ccc(F)cc3)c2)C1
InChIInChI=1S/C16H19FN4/c1-18-14-10-21(11-14)15-6-7-19-16(8-15)20-9-12-2-4-13(17)5-3-12/h2-8,14,18H,9-11H2,1H3,(H,19,20)
InChIKeyBJMDRYCQEHYSTQ-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.24
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)azetidin-1-yl]pyridin-2-amine

N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)azetidin-1-yl]pyridin-2-amine (PubChem CID 58227172) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)azetidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[3-(methylamino)azetidin-1-yl]pyridin-2-amine
PubChem CID58227172
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[3-(methylamino)azetidin-1-yl]pyridin-2-amine
SMILESCNC1CN(c2ccnc(NCc3ccc(F)cc3)c2)C1
InChIInChI=1S/C16H19FN4/c1-18-14-10-21(11-14)15-6-7-19-16(8-15)20-9-12-2-4-13(17)5-3-12/h2-8,14,18H,9-11H2,1H3,(H,19,20)
InChIKeyBJMDRYCQEHYSTQ-UHFFFAOYSA-N
XLogP2.24
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)azetidin-1-yl]pyridin-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)azetidin-1-yl]pyridin-2-amine (CID 58227172) is N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)azetidin-1-yl]pyridin-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)azetidin-1-yl]pyridin-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)azetidin-1-yl]pyridin-2-amine is CNC1CN(c2ccnc(NCc3ccc(F)cc3)c2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)azetidin-1-yl]pyridin-2-amine?
The InChIKey is BJMDRYCQEHYSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c1-18-14-10-21(11-14)15-6-7-19-16(8-15)20-9-12-2-4-13(17)5-3-12/h2-8,14,18H,9-11H2,1H3,(H,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)azetidin-1-yl]pyridin-2-amine?
N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)azetidin-1-yl]pyridin-2-amine has a molecular weight of 286.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)azetidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 58227172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).