5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide

C24H31N5O2 — CID 117091609

IUPAC5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(-c3cncc(C(=O)NCCCN4CCCC4=O)c3)cc2)CC1
InChIInChI=1S/C24H31N5O2/c1-27-12-14-28(15-13-27)22-7-5-19(6-8-22)20-16-21(18-25-17-20)24(31)26-9-3-11-29-10-2-4-23(29)30/h5-8,16-18H,2-4,9-15H2,1H3,(H,26,31)
InChIKeyBRONQZGALVHMNY-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.24
Rot. Bonds7

About 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide

5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 117091609) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
PubChem CID117091609
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(-c3cncc(C(=O)NCCCN4CCCC4=O)c3)cc2)CC1
InChIInChI=1S/C24H31N5O2/c1-27-12-14-28(15-13-27)22-7-5-19(6-8-22)20-16-21(18-25-17-20)24(31)26-9-3-11-29-10-2-4-23(29)30/h5-8,16-18H,2-4,9-15H2,1H3,(H,26,31)
InChIKeyBRONQZGALVHMNY-UHFFFAOYSA-N
XLogP2.24
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 2532950
5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 58833091
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
4-(4-methylpiperazin-1-yl)-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 71234571
N-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109229856
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide
CID 109222918
4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 146274528
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide
CID 109230294
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide
CID 122562091
5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 60635904
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide
CID 44553526
N-(3-methylbutyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109239859

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide (CID 117091609) is 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide is CN1CCN(c2ccc(-c3cncc(C(=O)NCCCN4CCCC4=O)c3)cc2)CC1.
What is the InChIKey of 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is BRONQZGALVHMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-27-12-14-28(15-13-27)22-7-5-19(6-8-22)20-16-21(18-25-17-20)24(31)26-9-3-11-29-10-2-4-23(29)30/h5-8,16-18H,2-4,9-15H2,1H3,(H,26,31).
What are the key properties of 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 117091609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).