2,5-dimethyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrrole-3-carboxamide

C24H25N5O2 — CID 56509929

IUPAC2,5-dimethyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(c2nc(-c3cccnc3)no2)C(C)C)c(C)n1-c1ccccc1
InChIInChI=1S/C24H25N5O2/c1-15(2)21(24-27-22(28-31-24)18-9-8-12-25-14-18)26-23(30)20-13-16(3)29(17(20)4)19-10-6-5-7-11-19/h5-15,21H,1-4H3,(H,26,30)
InChIKeyCGHSFPJJUBLIOE-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.67
Rot. Bonds6

About 2,5-dimethyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrrole-3-carboxamide

2,5-dimethyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrrole-3-carboxamide (PubChem CID 56509929) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrrole-3-carboxamide
PubChem CID56509929
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name2,5-dimethyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(c2nc(-c3cccnc3)no2)C(C)C)c(C)n1-c1ccccc1
InChIInChI=1S/C24H25N5O2/c1-15(2)21(24-27-22(28-31-24)18-9-8-12-25-14-18)26-23(30)20-13-16(3)29(17(20)4)19-10-6-5-7-11-19/h5-15,21H,1-4H3,(H,26,30)
InChIKeyCGHSFPJJUBLIOE-UHFFFAOYSA-N
XLogP4.67
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide
CID 122138041
5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
CID 95164209
1-(3,5-difluorophenyl)-3-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 95239719
1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide
CID 95156422
1-(3-fluoro-5-methylphenyl)-3-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 126767138
N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 52518584
ethyl 3-[[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56507929
N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 95591999
N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 126449538
1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 56509413
5-(4-methylphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
CID 118984655

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrrole-3-carboxamide (CID 56509929) is 2,5-dimethyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrrole-3-carboxamide is Cc1cc(C(=O)NC(c2nc(-c3cccnc3)no2)C(C)C)c(C)n1-c1ccccc1.
What is the InChIKey of 2,5-dimethyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrrole-3-carboxamide?
The InChIKey is CGHSFPJJUBLIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-15(2)21(24-27-22(28-31-24)18-9-8-12-25-14-18)26-23(30)20-13-16(3)29(17(20)4)19-10-6-5-7-11-19/h5-15,21H,1-4H3,(H,26,30).
What are the key properties of 2,5-dimethyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrrole-3-carboxamide?
2,5-dimethyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrrole-3-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 56509929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).