N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-dihydroisoindole-2-carboxamide

C21H25N5O2 — CID 68751844

IUPACN-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-dihydroisoindole-2-carboxamide
SMILESO=C(CCNC(=O)N1Cc2ccccc2C1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H25N5O2/c27-20(25-13-11-24(12-14-25)19-7-3-4-9-22-19)8-10-23-21(28)26-15-17-5-1-2-6-18(17)16-26/h1-7,9H,8,10-16H2,(H,23,28)
InChIKeyFHCGEISAMIUVSO-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.85
Rot. Bonds4

About N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-dihydroisoindole-2-carboxamide

N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-dihydroisoindole-2-carboxamide (PubChem CID 68751844) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-dihydroisoindole-2-carboxamide
PubChem CID68751844
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-dihydroisoindole-2-carboxamide
SMILESO=C(CCNC(=O)N1Cc2ccccc2C1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H25N5O2/c27-20(25-13-11-24(12-14-25)19-7-3-4-9-22-19)8-10-23-21(28)26-15-17-5-1-2-6-18(17)16-26/h1-7,9H,8,10-16H2,(H,23,28)
InChIKeyFHCGEISAMIUVSO-UHFFFAOYSA-N
XLogP1.85
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-dihydroisoindole-2-carboxamide (CID 68751844) is N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-dihydroisoindole-2-carboxamide is O=C(CCNC(=O)N1Cc2ccccc2C1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is FHCGEISAMIUVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-20(25-13-11-24(12-14-25)19-7-3-4-9-22-19)8-10-23-21(28)26-15-17-5-1-2-6-18(17)16-26/h1-7,9H,8,10-16H2,(H,23,28).
What are the key properties of N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-dihydroisoindole-2-carboxamide?
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 68751844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).