N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide

C22H28N6O2 — CID 117080691

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cccc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C22H28N6O2/c29-21-9-4-12-28(21)13-5-11-24-22(30)18-6-3-8-20(25-18)27-16-14-26(15-17-27)19-7-1-2-10-23-19/h1-3,6-8,10H,4-5,9,11-17H2,(H,24,30)
InChIKeyRLAOJMCOHHUHKY-UHFFFAOYSA-N
MW408.51 g/mol
LogP1.55
Rot. Bonds7

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 117080691) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID117080691
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cccc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C22H28N6O2/c29-21-9-4-12-28(21)13-5-11-24-22(30)18-6-3-8-20(25-18)27-16-14-26(15-17-27)19-7-1-2-10-23-19/h1-3,6-8,10H,4-5,9,11-17H2,(H,24,30)
InChIKeyRLAOJMCOHHUHKY-UHFFFAOYSA-N
XLogP1.55
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 117088866
6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 62233313
N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 110743641
2-[3-(2-oxoazepan-1-yl)propylcarbamoyl]pyridine-4-carboxylic acid
CID 122055052
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63048000
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 84573956
6-amino-N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 91789503
N-(2-hydroxyethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575178
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-4-carboxamide
CID 117094373
2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 39888643
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide (CID 117080691) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide is O=C(NCCCN1CCCC1=O)c1cccc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is RLAOJMCOHHUHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c29-21-9-4-12-28(21)13-5-11-24-22(30)18-6-3-8-20(25-18)27-16-14-26(15-17-27)19-7-1-2-10-23-19/h1-3,6-8,10H,4-5,9,11-17H2,(H,24,30).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 117080691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).