N-[(3,4-dimethylphenyl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine

C24H31FN4 — CID 87553627

IUPACN-[(3,4-dimethylphenyl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine
SMILESCc1ccc(CNC2CCN(CCN3C=CC=C4NC=C(F)C=C43)CC2)cc1C
InChIInChI=1S/C24H31FN4/c1-18-5-6-20(14-19(18)2)16-26-22-7-10-28(11-8-22)12-13-29-9-3-4-23-24(29)15-21(25)17-27-23/h3-6,9,14-15,17,22,26-27H,7-8,10-13,16H2,1-2H3
InChIKeyLWMYGDALKFAGBO-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.87
Rot. Bonds6

About N-[(3,4-dimethylphenyl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine

N-[(3,4-dimethylphenyl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine (PubChem CID 87553627) has the molecular formula C24H31FN4 and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine
PubChem CID87553627
Molecular FormulaC24H31FN4
Molecular Weight394.54 g/mol
Exact Mass394.25
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine
SMILESCc1ccc(CNC2CCN(CCN3C=CC=C4NC=C(F)C=C43)CC2)cc1C
InChIInChI=1S/C24H31FN4/c1-18-5-6-20(14-19(18)2)16-26-22-7-10-28(11-8-22)12-13-29-9-3-4-23-24(29)15-21(25)17-27-23/h3-6,9,14-15,17,22,26-27H,7-8,10-13,16H2,1-2H3
InChIKeyLWMYGDALKFAGBO-UHFFFAOYSA-N
XLogP3.87
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine (CID 87553627) is N-[(3,4-dimethylphenyl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine is Cc1ccc(CNC2CCN(CCN3C=CC=C4NC=C(F)C=C43)CC2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine?
The InChIKey is LWMYGDALKFAGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4/c1-18-5-6-20(14-19(18)2)16-26-22-7-10-28(11-8-22)12-13-29-9-3-4-23-24(29)15-21(25)17-27-23/h3-6,9,14-15,17,22,26-27H,7-8,10-13,16H2,1-2H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine?
N-[(3,4-dimethylphenyl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine has a molecular weight of 394.54 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 87553627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).