N,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide

C22H25N3O — CID 77084067

IUPACN,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide
SMILESCCC(c1cccnc1)N(C)C(=O)c1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C22H25N3O/c1-5-21(18-10-9-13-23-15-18)24(4)22(26)20-14-16(2)25(17(20)3)19-11-7-6-8-12-19/h6-15,21H,5H2,1-4H3
InChIKeyVQEZZFSUPYLTAR-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.71
Rot. Bonds5

About N,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide

N,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide (PubChem CID 77084067) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide
PubChem CID77084067
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide
SMILESCCC(c1cccnc1)N(C)C(=O)c1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C22H25N3O/c1-5-21(18-10-9-13-23-15-18)24(4)22(26)20-14-16(2)25(17(20)3)19-11-7-6-8-12-19/h6-15,21H,5H2,1-4H3
InChIKeyVQEZZFSUPYLTAR-UHFFFAOYSA-N
XLogP4.71
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 78784155
N-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 60550798
N-methyl-2-(methylamino)-N-(1-pyridin-3-ylpropyl)pyridine-3-carboxamide
CID 74248524
N-methyl-1-oxo-N-(1-pyridin-3-ylpropyl)-2H-isoquinoline-4-carboxamide
CID 74230073
N-methyl-6-oxo-2-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylpropyl]-1H-pyrimidine-5-carboxamide
CID 97115377
N-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide
CID 30281388
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 95591999
3-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-[(1R)-1-pyridin-3-ylpropyl]benzamide
CID 125155931
N,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide
CID 97113366
N-(1-cyanopropan-2-yl)-N,2,5-trimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 56523461
N-(1-aminopropan-2-yl)-N,2,5-trimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 119583884
1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea
CID 118763854

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide?
The IUPAC name of N,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide (CID 77084067) is N,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide.
What is the SMILES notation for N,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide?
The canonical SMILES for N,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide is CCC(c1cccnc1)N(C)C(=O)c1cc(C)n(-c2ccccc2)c1C.
What is the InChIKey of N,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide?
The InChIKey is VQEZZFSUPYLTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-5-21(18-10-9-13-23-15-18)24(4)22(26)20-14-16(2)25(17(20)3)19-11-7-6-8-12-19/h6-15,21H,5H2,1-4H3.
What are the key properties of N,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide?
N,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide is sourced from PubChem (CID 77084067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).