N-(2-fluoro-4-piperidin-3-ylphenyl)-2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-amine

C27H34FN5 — CID 166940435

IUPACN-(2-fluoro-4-piperidin-3-ylphenyl)-2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-amine
SMILESCC(c1ccc2cnc(Nc3ccc(C4CCCNC4)cc3F)cc2n1)C1CCN(C)CC1
InChIInChI=1S/C27H34FN5/c1-18(19-9-12-33(2)13-10-19)24-7-6-22-17-30-27(15-26(22)31-24)32-25-8-5-20(14-23(25)28)21-4-3-11-29-16-21/h5-8,14-15,17-19,21,29H,3-4,9-13,16H2,1-2H3,(H,30,32)
InChIKeyYHIJXEXGYPXKFE-UHFFFAOYSA-N
MW447.60 g/mol
LogP5.42
Rot. Bonds5

About N-(2-fluoro-4-piperidin-3-ylphenyl)-2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-amine

N-(2-fluoro-4-piperidin-3-ylphenyl)-2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-amine (PubChem CID 166940435) has the molecular formula C27H34FN5 and a molecular weight of 447.60 g/mol. Its IUPAC name is N-(2-fluoro-4-piperidin-3-ylphenyl)-2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-piperidin-3-ylphenyl)-2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-amine
PubChem CID166940435
Molecular FormulaC27H34FN5
Molecular Weight447.60 g/mol
Exact Mass447.28
IUPAC NameN-(2-fluoro-4-piperidin-3-ylphenyl)-2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-amine
SMILESCC(c1ccc2cnc(Nc3ccc(C4CCCNC4)cc3F)cc2n1)C1CCN(C)CC1
InChIInChI=1S/C27H34FN5/c1-18(19-9-12-33(2)13-10-19)24-7-6-22-17-30-27(15-26(22)31-24)32-25-8-5-20(14-23(25)28)21-4-3-11-29-16-21/h5-8,14-15,17-19,21,29H,3-4,9-13,16H2,1-2H3,(H,30,32)
InChIKeyYHIJXEXGYPXKFE-UHFFFAOYSA-N
XLogP5.42
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.60
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-fluoro-4-piperidin-3-ylphenyl)-2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-amine with MolForge

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Related Compounds

1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine
CID 117444808
(1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 162439898
4-N-ethenyl-2-fluoro-4-N-(methylideneamino)-1-N-[2-[1-(1-methylpiperidin-4-yl)ethenyl]-1,6-naphthyridin-7-yl]benzene-1,4-diamine
CID 156719511
N-(3-amino-1-methylpiperidin-4-yl)-N-[7-(2-fluoro-4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-yl]thiohydroxylamine
CID 166940492
2-ethyl-7-piperidin-3-ylquinoline
CID 10421780
2-fluoro-4-piperidin-3-ylphenol
CID 82606236
2-(2,6-dimethyl-1-oxa-6-azaspiro[2.5]octan-2-yl)-N-(2-fluoro-4-pyrazol-1-ylphenyl)-1,6-naphthyridin-7-amine
CID 162439736
2-fluoro-4-piperidin-3-ylbenzaldehyde;hydrochloride
CID 175797855
2-fluoro-5-piperidin-3-ylpyridine
CID 24904338
2-fluoro-5-[(3S)-piperidin-3-yl]aniline
CID 93478585
3-[3,4-bis(methylsulfanyl)phenyl]piperidine
CID 117386847
2-(difluoromethyl)-6-methyl-4-piperidin-3-ylpyridine
CID 146286074

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-piperidin-3-ylphenyl)-2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-amine?
The IUPAC name of N-(2-fluoro-4-piperidin-3-ylphenyl)-2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-amine (CID 166940435) is N-(2-fluoro-4-piperidin-3-ylphenyl)-2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-amine.
What is the SMILES notation for N-(2-fluoro-4-piperidin-3-ylphenyl)-2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-amine?
The canonical SMILES for N-(2-fluoro-4-piperidin-3-ylphenyl)-2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-amine is CC(c1ccc2cnc(Nc3ccc(C4CCCNC4)cc3F)cc2n1)C1CCN(C)CC1.
What is the InChIKey of N-(2-fluoro-4-piperidin-3-ylphenyl)-2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-amine?
The InChIKey is YHIJXEXGYPXKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN5/c1-18(19-9-12-33(2)13-10-19)24-7-6-22-17-30-27(15-26(22)31-24)32-25-8-5-20(14-23(25)28)21-4-3-11-29-16-21/h5-8,14-15,17-19,21,29H,3-4,9-13,16H2,1-2H3,(H,30,32).
What are the key properties of N-(2-fluoro-4-piperidin-3-ylphenyl)-2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-amine?
N-(2-fluoro-4-piperidin-3-ylphenyl)-2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-amine has a molecular weight of 447.60 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-piperidin-3-ylphenyl)-2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-amine is sourced from PubChem (CID 166940435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).