N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide

C24H26ClN5O2 — CID 56503147

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)n1-c1ccccn1
InChIInChI=1S/C24H26ClN5O2/c1-17-14-21(18(2)30(17)22-8-3-4-9-26-22)24(32)27-16-23(31)29-12-10-28(11-13-29)20-7-5-6-19(25)15-20/h3-9,14-15H,10-13,16H2,1-2H3,(H,27,32)
InChIKeyHLGJNPDDHIRBGX-UHFFFAOYSA-N
MW451.96 g/mol
LogP3.22
Rot. Bonds5

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide (PubChem CID 56503147) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
PubChem CID56503147
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)n1-c1ccccn1
InChIInChI=1S/C24H26ClN5O2/c1-17-14-21(18(2)30(17)22-8-3-4-9-26-22)24(32)27-16-23(31)29-12-10-28(11-13-29)20-7-5-6-19(25)15-20/h3-9,14-15H,10-13,16H2,1-2H3,(H,27,32)
InChIKeyHLGJNPDDHIRBGX-UHFFFAOYSA-N
XLogP3.22
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 7974806
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
2,5-dimethyl-1-pyridin-2-yl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrole-3-carboxamide
CID 55633991
2,5-dimethyl-N-[2-(methylamino)propyl]-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120831614
2-(3-chloroanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109004774
N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 119996973
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 111119746
2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide
CID 119463102
1-[4-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56520501
N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120654138
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 112994499
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzodioxole-4-carboxamide
CID 56502637

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide (CID 56503147) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide is Cc1cc(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)n1-c1ccccn1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
The InChIKey is HLGJNPDDHIRBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c1-17-14-21(18(2)30(17)22-8-3-4-9-26-22)24(32)27-16-23(31)29-12-10-28(11-13-29)20-7-5-6-19(25)15-20/h3-9,14-15H,10-13,16H2,1-2H3,(H,27,32).
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide has a molecular weight of 451.96 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 56503147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).