4-(8-cyanoquinolin-5-yl)-3-methyl-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide

C22H22N6O — CID 156711867

IUPAC4-(8-cyanoquinolin-5-yl)-3-methyl-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccc(C#N)c4ncccc34)C(C)C2)cn1
InChIInChI=1S/C22H22N6O/c1-15-5-7-18(13-25-15)26-22(29)27-10-11-28(16(2)14-27)20-8-6-17(12-23)21-19(20)4-3-9-24-21/h3-9,13,16H,10-11,14H2,1-2H3,(H,26,29)
InChIKeyYEDPCLRIPAXXDL-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.55
Rot. Bonds2

About 4-(8-cyanoquinolin-5-yl)-3-methyl-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide

4-(8-cyanoquinolin-5-yl)-3-methyl-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 156711867) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-(8-cyanoquinolin-5-yl)-3-methyl-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(8-cyanoquinolin-5-yl)-3-methyl-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide
PubChem CID156711867
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name4-(8-cyanoquinolin-5-yl)-3-methyl-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccc(C#N)c4ncccc34)C(C)C2)cn1
InChIInChI=1S/C22H22N6O/c1-15-5-7-18(13-25-15)26-22(29)27-10-11-28(16(2)14-27)20-8-6-17(12-23)21-19(20)4-3-9-24-21/h3-9,13,16H,10-11,14H2,1-2H3,(H,26,29)
InChIKeyYEDPCLRIPAXXDL-UHFFFAOYSA-N
XLogP3.55
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(8-cyanoquinolin-5-yl)-3-methyl-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide with MolForge

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Related Compounds

(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 58665278
(4R,9aR)-2-(8-cyanoquinolin-5-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid
CID 155192440
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide
CID 118007139
5-[(2R,6R)-2-methyl-6-(piperazine-1-carbonyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118006873
5-(3-formylpyrrolidin-1-yl)quinoline-8-carbonitrile
CID 146440660
4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 115742442
N-(2-carbamoyl-4-pyridinyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 140671794
5-[(2R,6R)-2-(4-aminopiperidine-1-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007391
5-[(2R,6R)-2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007214
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide
CID 118007404
5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006562
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-(oxetan-3-yl)morpholine-2-carboxamide
CID 118007265

Frequently Asked Questions

What is the IUPAC name of 4-(8-cyanoquinolin-5-yl)-3-methyl-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(8-cyanoquinolin-5-yl)-3-methyl-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide (CID 156711867) is 4-(8-cyanoquinolin-5-yl)-3-methyl-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(8-cyanoquinolin-5-yl)-3-methyl-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(8-cyanoquinolin-5-yl)-3-methyl-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3ccc(C#N)c4ncccc34)C(C)C2)cn1.
What is the InChIKey of 4-(8-cyanoquinolin-5-yl)-3-methyl-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is YEDPCLRIPAXXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-15-5-7-18(13-25-15)26-22(29)27-10-11-28(16(2)14-27)20-8-6-17(12-23)21-19(20)4-3-9-24-21/h3-9,13,16H,10-11,14H2,1-2H3,(H,26,29).
What are the key properties of 4-(8-cyanoquinolin-5-yl)-3-methyl-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide?
4-(8-cyanoquinolin-5-yl)-3-methyl-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-cyanoquinolin-5-yl)-3-methyl-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 156711867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).