N-(cyanomethyl)-1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidine-4-carboxamide

C19H19N5O2 — CID 89052488

IUPACN-(cyanomethyl)-1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidine-4-carboxamide
SMILESCn1c(=O)c(C#N)c(N2CCC(C(=O)NCC#N)CC2)c2ccccc21
InChIInChI=1S/C19H19N5O2/c1-23-16-5-3-2-4-14(16)17(15(12-21)19(23)26)24-10-6-13(7-11-24)18(25)22-9-8-20/h2-5,13H,6-7,9-11H2,1H3,(H,22,25)
InChIKeyABLQMWUGECFPIS-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.27
Rot. Bonds3

About N-(cyanomethyl)-1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidine-4-carboxamide

N-(cyanomethyl)-1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidine-4-carboxamide (PubChem CID 89052488) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(cyanomethyl)-1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidine-4-carboxamide
PubChem CID89052488
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-(cyanomethyl)-1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidine-4-carboxamide
SMILESCn1c(=O)c(C#N)c(N2CCC(C(=O)NCC#N)CC2)c2ccccc21
InChIInChI=1S/C19H19N5O2/c1-23-16-5-3-2-4-14(16)17(15(12-21)19(23)26)24-10-6-13(7-11-24)18(25)22-9-8-20/h2-5,13H,6-7,9-11H2,1H3,(H,22,25)
InChIKeyABLQMWUGECFPIS-UHFFFAOYSA-N
XLogP1.27
TPSA101.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
N-[(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)methyl]acetamide
CID 137641357
1-(1-Propionylpiperidin-4-yl)-3-o-tolylurea
CID 49782797
N-[[(3R,4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinolin-3-yl]methyl]propanamide
CID 137631636
N-[(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)methyl]acetamide
CID 137636079
N-[(1-benzyl-3,4-dihydro-2H-quinolin-3-yl)methyl]acetamide
CID 137645887
N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 939075
N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
CID 944274
N-Ethyl-N-(2-hydroxy-quinolin-4-ylmethyl)-isobutyramide
CID 945517
2-methyl-N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 947598
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide
CID 2017572
2-Hydroxy-4-[3-(2-oxo-pyrrolidin-1-yl)-propylamino]-quinoline-3-carbaldehyde
CID 6504175

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(cyanomethyl)-1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidine-4-carboxamide (CID 89052488) is N-(cyanomethyl)-1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(cyanomethyl)-1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidine-4-carboxamide is Cn1c(=O)c(C#N)c(N2CCC(C(=O)NCC#N)CC2)c2ccccc21.
What is the InChIKey of N-(cyanomethyl)-1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidine-4-carboxamide?
The InChIKey is ABLQMWUGECFPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-23-16-5-3-2-4-14(16)17(15(12-21)19(23)26)24-10-6-13(7-11-24)18(25)22-9-8-20/h2-5,13H,6-7,9-11H2,1H3,(H,22,25).
What are the key properties of N-(cyanomethyl)-1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidine-4-carboxamide?
N-(cyanomethyl)-1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidine-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 89052488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).