N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide

C22H23N5O2 — CID 26127247

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)C3CCN(c4ccc(C#N)cn4)CC3)ccc21
InChIInChI=1S/C22H23N5O2/c1-15(28)27-11-8-18-12-19(3-4-20(18)27)25-22(29)17-6-9-26(10-7-17)21-5-2-16(13-23)14-24-21/h2-5,12,14,17H,6-11H2,1H3,(H,25,29)
InChIKeyYHRKQAHLRHUOJM-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.72
Rot. Bonds3

About N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 26127247) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
PubChem CID26127247
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)C3CCN(c4ccc(C#N)cn4)CC3)ccc21
InChIInChI=1S/C22H23N5O2/c1-15(28)27-11-8-18-12-19(3-4-20(18)27)25-22(29)17-6-9-26(10-7-17)21-5-2-16(13-23)14-24-21/h2-5,12,14,17H,6-11H2,1H3,(H,25,29)
InChIKeyYHRKQAHLRHUOJM-UHFFFAOYSA-N
XLogP2.72
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide (CID 26127247) is N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide is CC(=O)N1CCc2cc(NC(=O)C3CCN(c4ccc(C#N)cn4)CC3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is YHRKQAHLRHUOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15(28)27-11-8-18-12-19(3-4-20(18)27)25-22(29)17-6-9-26(10-7-17)21-5-2-16(13-23)14-24-21/h2-5,12,14,17H,6-11H2,1H3,(H,25,29).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 26127247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).