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

C20H21N3O — CID 78784155

IUPACN,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2cccnc2)c(C)n1-c1ccccc1
InChIInChI=1S/C20H21N3O/c1-15-12-19(16(2)23(15)18-9-5-4-6-10-18)20(24)22(3)14-17-8-7-11-21-13-17/h4-13H,14H2,1-3H3
InChIKeyGIZBXKSOWBPPPW-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.76
Rot. Bonds4

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

N,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide (PubChem CID 78784155) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
PubChem CID78784155
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2cccnc2)c(C)n1-c1ccccc1
InChIInChI=1S/C20H21N3O/c1-15-12-19(16(2)23(15)18-9-5-4-6-10-18)20(24)22(3)14-17-8-7-11-21-13-17/h4-13H,14H2,1-3H3
InChIKeyGIZBXKSOWBPPPW-UHFFFAOYSA-N
XLogP3.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.76
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-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide
CID 30281388
N-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 60550798
N,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide
CID 77084067
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 75485191
2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 47097163
N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 110691243
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62243618
1-benzyl-N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 86824271
5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 54916915
N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 78852401
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
1-(4-fluorophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 31843746

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of N,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide (CID 78784155) is N,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for N,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)N(C)Cc2cccnc2)c(C)n1-c1ccccc1.
What is the InChIKey of N,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is GIZBXKSOWBPPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15-12-19(16(2)23(15)18-9-5-4-6-10-18)20(24)22(3)14-17-8-7-11-21-13-17/h4-13H,14H2,1-3H3.
What are the key properties of N,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide?
N,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.76, 4 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-(pyridin-3-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 78784155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).