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

C17H21FN4 — CID 75048000

IUPACN-[(4-fluorophenyl)methyl]-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
SMILESCNC1CCN(c2ccnc(NCc3ccc(F)cc3)c2)C1
InChIInChI=1S/C17H21FN4/c1-19-15-7-9-22(12-15)16-6-8-20-17(10-16)21-11-13-2-4-14(18)5-3-13/h2-6,8,10,15,19H,7,9,11-12H2,1H3,(H,20,21)
InChIKeyQIKKIPDUTBSDFG-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.63
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine (PubChem CID 75048000) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
PubChem CID75048000
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
SMILESCNC1CCN(c2ccnc(NCc3ccc(F)cc3)c2)C1
InChIInChI=1S/C17H21FN4/c1-19-15-7-9-22(12-15)16-6-8-20-17(10-16)21-11-13-2-4-14(18)5-3-13/h2-6,8,10,15,19H,7,9,11-12H2,1H3,(H,20,21)
InChIKeyQIKKIPDUTBSDFG-UHFFFAOYSA-N
XLogP2.63
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.63
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)pyrrolidin-1-yl]pyridin-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine (CID 75048000) is N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine is CNC1CCN(c2ccnc(NCc3ccc(F)cc3)c2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The InChIKey is QIKKIPDUTBSDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4/c1-19-15-7-9-22(12-15)16-6-8-20-17(10-16)21-11-13-2-4-14(18)5-3-13/h2-6,8,10,15,19H,7,9,11-12H2,1H3,(H,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine has a molecular weight of 300.38 g/mol, XLogP of 2.63, 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)pyrrolidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 75048000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).