N-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide

C20H24N6O — CID 171993653

IUPACN-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCN(c3nc4c(cc3C#N)CCCC4)C2)cn1
InChIInChI=1S/C20H24N6O/c1-25-12-16(11-22-25)20(27)23-17-6-4-8-26(13-17)19-15(10-21)9-14-5-2-3-7-18(14)24-19/h9,11-12,17H,2-8,13H2,1H3,(H,23,27)
InChIKeyQWRWRIXGZOVAES-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.96
Rot. Bonds3

About N-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide

N-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 171993653) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
PubChem CID171993653
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCN(c3nc4c(cc3C#N)CCCC4)C2)cn1
InChIInChI=1S/C20H24N6O/c1-25-12-16(11-22-25)20(27)23-17-6-4-8-26(13-17)19-15(10-21)9-14-5-2-3-7-18(14)24-19/h9,11-12,17H,2-8,13H2,1H3,(H,23,27)
InChIKeyQWRWRIXGZOVAES-UHFFFAOYSA-N
XLogP1.96
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993635
N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 172933795
2-(3-hydroxypiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940480
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171994214
1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171690523
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993320
1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)pyrrolidine-3-carboxamide
CID 103878001
N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171997253
2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63627036
1-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171993375
2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 70727057
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 79927493

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide (CID 171993653) is N-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCCN(c3nc4c(cc3C#N)CCCC4)C2)cn1.
What is the InChIKey of N-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is QWRWRIXGZOVAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-25-12-16(11-22-25)20(27)23-17-6-4-8-26(13-17)19-15(10-21)9-14-5-2-3-7-18(14)24-19/h9,11-12,17H,2-8,13H2,1H3,(H,23,27).
What are the key properties of N-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
N-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 171993653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).