2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide

C30H31N5O2 — CID 67238906

IUPAC2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide
SMILESCc1ccc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc(C)n4C)cc3)CC2)nc1
InChIInChI=1S/C30H31N5O2/c1-21-9-14-27(31-20-21)35-17-15-34(16-18-35)25-12-10-24(11-13-25)32-30(37)29(36)28-26(19-22(2)33(28)3)23-7-5-4-6-8-23/h4-14,19-20H,15-18H2,1-3H3,(H,32,37)
InChIKeyHGEBYMJEHCWKMZ-UHFFFAOYSA-N
MW493.61 g/mol
LogP4.85
Rot. Bonds6

About 2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide

2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide (PubChem CID 67238906) has the molecular formula C30H31N5O2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide
PubChem CID67238906
Molecular FormulaC30H31N5O2
Molecular Weight493.61 g/mol
Exact Mass493.25
IUPAC Name2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide
SMILESCc1ccc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc(C)n4C)cc3)CC2)nc1
InChIInChI=1S/C30H31N5O2/c1-21-9-14-27(31-20-21)35-17-15-34(16-18-35)25-12-10-24(11-13-25)32-30(37)29(36)28-26(19-22(2)33(28)3)23-7-5-4-6-8-23/h4-14,19-20H,15-18H2,1-3H3,(H,32,37)
InChIKeyHGEBYMJEHCWKMZ-UHFFFAOYSA-N
XLogP4.85
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 24997918
N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)acetamide
CID 25119919
2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]-2-oxoacetamide
CID 91885568
2-[1-(2-methoxyethyl)-5-methyl-3-phenylpyrrol-2-yl]-N-[4-[4-[5-(morpholin-4-ylmethyl)-2-pyridinyl]piperazin-1-yl]phenyl]-2-oxoacetamide
CID 67239111
ethyl 2-[2-[2-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]anilino]-2-oxoacetyl]-5-methyl-3-phenylpyrrol-1-yl]acetate
CID 66914978
N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-[1-(3-ethoxypropyl)-5-methyl-3-phenylpyrrol-2-yl]-2-oxoacetamide
CID 66915004
N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide
CID 67326733
2-[1-[2-(dimethylamino)ethyl]-3-phenylpyrrol-2-yl]-N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide
CID 66914873
4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 59676624
N-[(10aR)-2-(5-fluoropyrimidin-2-yl)-10-hydroxy-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-8-yl]-2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetamide
CID 167142823
N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-[1-(methoxymethyl)-3-phenylpyrrol-2-yl]-2-oxoacetamide
CID 66914698
N-[(4aS)-3-(5-fluoropyrimidin-2-yl)-6-oxo-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinolin-8-yl]-2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetamide
CID 167142824

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide?
The IUPAC name of 2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide (CID 67238906) is 2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide?
The canonical SMILES for 2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide is Cc1ccc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc(C)n4C)cc3)CC2)nc1.
What is the InChIKey of 2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide?
The InChIKey is HGEBYMJEHCWKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2/c1-21-9-14-27(31-20-21)35-17-15-34(16-18-35)25-12-10-24(11-13-25)32-30(37)29(36)28-26(19-22(2)33(28)3)23-7-5-4-6-8-23/h4-14,19-20H,15-18H2,1-3H3,(H,32,37).
What are the key properties of 2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide?
2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide has a molecular weight of 493.61 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide is sourced from PubChem (CID 67238906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).