N-[1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide

C21H25FN6O — CID 137424899

IUPACN-[1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide
SMILESCC1CN(c2ccc(C#N)c3nccnc23)CC1NC(=O)CC1(F)CCNCC1
InChIInChI=1S/C21H25FN6O/c1-14-12-28(17-3-2-15(11-23)19-20(17)26-9-8-25-19)13-16(14)27-18(29)10-21(22)4-6-24-7-5-21/h2-3,8-9,14,16,24H,4-7,10,12-13H2,1H3,(H,27,29)
InChIKeyXYCBUZMWEKJBQO-UHFFFAOYSA-N
MW396.47 g/mol
LogP1.92
Rot. Bonds4

About N-[1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide

N-[1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide (PubChem CID 137424899) has the molecular formula C21H25FN6O and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide
PubChem CID137424899
Molecular FormulaC21H25FN6O
Molecular Weight396.47 g/mol
Exact Mass396.21
IUPAC NameN-[1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide
SMILESCC1CN(c2ccc(C#N)c3nccnc23)CC1NC(=O)CC1(F)CCNCC1
InChIInChI=1S/C21H25FN6O/c1-14-12-28(17-3-2-15(11-23)19-20(17)26-9-8-25-19)13-16(14)27-18(29)10-21(22)4-6-24-7-5-21/h2-3,8-9,14,16,24H,4-7,10,12-13H2,1H3,(H,27,29)
InChIKeyXYCBUZMWEKJBQO-UHFFFAOYSA-N
XLogP1.92
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide
CID 146316841
4-[2-[[(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]amino]-2-oxoethyl]-3,3-difluoropiperidine-2-carboxylic acid
CID 137423960
2-(4-fluoropiperidin-4-yl)-N-[4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide
CID 142520357
N-[(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]acetamide
CID 137423882
N-[(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-[(3S)-1-methylpyrrolidin-3-yl]acetamide
CID 137423816
N-[(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 137423766
4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide
CID 159569353
N-[(3R,4R)-4-[(8-cyanoquinoxalin-5-yl)methyl]pyrrolidin-3-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)acetamide
CID 175012974
tert-butyl 4-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]amino]-2-oxoethyl]-4-fluoropiperidine-1-carboxylate
CID 150711045
N-[(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-(1,4-dimethylpiperidin-4-yl)acetamide;bis(N-[(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-(1-methylpyrrolidin-3-yl)acetamide);N-[(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-morpholin-4-ylacetamide;methane
CID 158490469
4-(8-cyanoquinoxalin-5-yl)-N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide
CID 158089904
2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide
CID 129241344

Frequently Asked Questions

What is the IUPAC name of N-[1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide?
The IUPAC name of N-[1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide (CID 137424899) is N-[1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide.
What is the SMILES notation for N-[1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide?
The canonical SMILES for N-[1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide is CC1CN(c2ccc(C#N)c3nccnc23)CC1NC(=O)CC1(F)CCNCC1.
What is the InChIKey of N-[1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide?
The InChIKey is XYCBUZMWEKJBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O/c1-14-12-28(17-3-2-15(11-23)19-20(17)26-9-8-25-19)13-16(14)27-18(29)10-21(22)4-6-24-7-5-21/h2-3,8-9,14,16,24H,4-7,10,12-13H2,1H3,(H,27,29).
What are the key properties of N-[1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide?
N-[1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide has a molecular weight of 396.47 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide is sourced from PubChem (CID 137424899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).