3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperidin-1-ylimidazo[4,5-c]pyridine-6-carboxamide

C24H24N6O2 — CID 58638278

IUPAC3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperidin-1-ylimidazo[4,5-c]pyridine-6-carboxamide
SMILESCC#CCn1c(N2CCCCC2)nc2cc(C(N)=O)n(Cc3ccccc3C#N)c(=O)c21
InChIInChI=1S/C24H24N6O2/c1-2-3-13-29-21-19(27-24(29)28-11-7-4-8-12-28)14-20(22(26)31)30(23(21)32)16-18-10-6-5-9-17(18)15-25/h5-6,9-10,14H,4,7-8,11-13,16H2,1H3,(H2,26,31)
InChIKeyUVUWSWVQSIKABO-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.23
Rot. Bonds5

About 3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperidin-1-ylimidazo[4,5-c]pyridine-6-carboxamide

3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperidin-1-ylimidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 58638278) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperidin-1-ylimidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperidin-1-ylimidazo[4,5-c]pyridine-6-carboxamide
PubChem CID58638278
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperidin-1-ylimidazo[4,5-c]pyridine-6-carboxamide
SMILESCC#CCn1c(N2CCCCC2)nc2cc(C(N)=O)n(Cc3ccccc3C#N)c(=O)c21
InChIInChI=1S/C24H24N6O2/c1-2-3-13-29-21-19(27-24(29)28-11-7-4-8-12-28)14-20(22(26)31)30(23(21)32)16-18-10-6-5-9-17(18)15-25/h5-6,9-10,14H,4,7-8,11-13,16H2,1H3,(H2,26,31)
InChIKeyUVUWSWVQSIKABO-UHFFFAOYSA-N
XLogP2.23
TPSA109.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperidin-1-ylimidazo[4,5-c]pyridine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[(3-but-2-ynyl-4-oxo-7-phenyl-2-piperidin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzonitrile
CID 58638478
7-but-2-ynyl-1-[(2-cyanophenyl)methyl]-6-oxo-8-piperazin-1-ylpurine-2-carbonitrile
CID 11441315
2-[(4-oxo-2-piperidin-1-yl-6-propanoylthieno[3,2-d]pyrimidin-3-yl)methyl]benzonitrile
CID 135247928
N-[(2-chlorophenyl)methyl]-3-[(2-cyanophenyl)methyl]-4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidine-6-carboxamide
CID 135248006
2-[[2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-4-oxoimidazo[2,1-b]purin-5-yl]methyl]benzonitrile
CID 122172856
2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)oxybenzonitrile
CID 58638396
2-[[2-(3-aminopiperidin-1-yl)-5-methyl-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzonitrile
CID 21054401
3-[(3-but-2-ynyl-4-oxo-2-piperidin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzoic acid
CID 58638474
3-but-2-ynyl-5-methyl-4-oxo-2-piperazin-1-ylimidazo[4,5-c]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 23071003
3-[7-but-2-ynyl-1-[(2-isocyanophenyl)methyl]-6-oxo-8-piperidin-1-ylpurin-2-yl]oxypyridine-2-carboxamide
CID 58638252
2-[[6-(benzylamino)-4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl]methyl]benzonitrile
CID 135248001
2-[(6-fluoro-7-morpholin-4-yl-4-oxo-2-piperidin-1-ylquinazolin-3-yl)methyl]benzonitrile
CID 142948372

Frequently Asked Questions

What is the IUPAC name of 3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperidin-1-ylimidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperidin-1-ylimidazo[4,5-c]pyridine-6-carboxamide (CID 58638278) is 3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperidin-1-ylimidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperidin-1-ylimidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperidin-1-ylimidazo[4,5-c]pyridine-6-carboxamide is CC#CCn1c(N2CCCCC2)nc2cc(C(N)=O)n(Cc3ccccc3C#N)c(=O)c21.
What is the InChIKey of 3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperidin-1-ylimidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is UVUWSWVQSIKABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-2-3-13-29-21-19(27-24(29)28-11-7-4-8-12-28)14-20(22(26)31)30(23(21)32)16-18-10-6-5-9-17(18)15-25/h5-6,9-10,14H,4,7-8,11-13,16H2,1H3,(H2,26,31).
What are the key properties of 3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperidin-1-ylimidazo[4,5-c]pyridine-6-carboxamide?
3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperidin-1-ylimidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperidin-1-ylimidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 58638278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).