N-[(3R,5S)-1-(8-cyano-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]-2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]acetamide

C24H31FN6O2 — CID 146329555

IUPACN-[(3R,5S)-1-(8-cyano-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]-2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]acetamide
SMILESC[C@H]1C[C@@H](NC(=O)CC2CCN(CCO)CC2F)CN(c2cnc(C#N)c3ncccc23)C1
InChIInChI=1S/C24H31FN6O2/c1-16-9-18(29-23(33)10-17-4-6-30(7-8-32)15-20(17)25)14-31(13-16)22-12-28-21(11-26)24-19(22)3-2-5-27-24/h2-3,5,12,16-18,20,32H,4,6-10,13-15H2,1H3,(H,29,33)/t16-,17?,18+,20?/m0/s1
InChIKeyGHROLBXTBMPCKU-SARBKMAYSA-N
MW454.55 g/mol
LogP1.87
Rot. Bonds6

About N-[(3R,5S)-1-(8-cyano-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]-2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]acetamide

N-[(3R,5S)-1-(8-cyano-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]-2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]acetamide (PubChem CID 146329555) has the molecular formula C24H31FN6O2 and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[(3R,5S)-1-(8-cyano-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]-2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-(8-cyano-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]-2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]acetamide
PubChem CID146329555
Molecular FormulaC24H31FN6O2
Molecular Weight454.55 g/mol
Exact Mass454.25
IUPAC NameN-[(3R,5S)-1-(8-cyano-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]-2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]acetamide
SMILESC[C@H]1C[C@@H](NC(=O)CC2CCN(CCO)CC2F)CN(c2cnc(C#N)c3ncccc23)C1
InChIInChI=1S/C24H31FN6O2/c1-16-9-18(29-23(33)10-17-4-6-30(7-8-32)15-20(17)25)14-31(13-16)22-12-28-21(11-26)24-19(22)3-2-5-27-24/h2-3,5,12,16-18,20,32H,4,6-10,13-15H2,1H3,(H,29,33)/t16-,17?,18+,20?/m0/s1
InChIKeyGHROLBXTBMPCKU-SARBKMAYSA-N
XLogP1.87
TPSA105.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3R,5S)-1-(8-cyano-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]-2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]acetamide with MolForge

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Related Compounds

N-tert-butyl-4-[2-[[(3R,5S)-1-(8-cyano-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]amino]-2-oxoethyl]-3-fluoropiperidine-1-carboxamide
CID 146329557
2-(1-methylazetidin-3-yl)-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]acetamide
CID 129240789
2-(1-methylazetidin-3-yl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 166776978
3-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]butanamide
CID 121411574
3-hydroxy-3-methyl-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]butanamide
CID 129241169
2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129241327
N-[(3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-yl]-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide
CID 146329286
2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 156694826
N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide
CID 129241478
2-(4-methylpiperazin-1-yl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129241135
2-(3-aminoazetidin-1-yl)-N-[(3R,5S)-1-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]acetamide
CID 129240938
3-amino-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide
CID 146316950

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-(8-cyano-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]-2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[(3R,5S)-1-(8-cyano-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]-2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]acetamide (CID 146329555) is N-[(3R,5S)-1-(8-cyano-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]-2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(3R,5S)-1-(8-cyano-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]-2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[(3R,5S)-1-(8-cyano-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]-2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]acetamide is C[C@H]1C[C@@H](NC(=O)CC2CCN(CCO)CC2F)CN(c2cnc(C#N)c3ncccc23)C1.
What is the InChIKey of N-[(3R,5S)-1-(8-cyano-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]-2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]acetamide?
The InChIKey is GHROLBXTBMPCKU-SARBKMAYSA-N. The full InChI is InChI=1S/C24H31FN6O2/c1-16-9-18(29-23(33)10-17-4-6-30(7-8-32)15-20(17)25)14-31(13-16)22-12-28-21(11-26)24-19(22)3-2-5-27-24/h2-3,5,12,16-18,20,32H,4,6-10,13-15H2,1H3,(H,29,33)/t16-,17?,18+,20?/m0/s1.
What are the key properties of N-[(3R,5S)-1-(8-cyano-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]-2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]acetamide?
N-[(3R,5S)-1-(8-cyano-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]-2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]acetamide has a molecular weight of 454.55 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-(8-cyano-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]-2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 146329555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).