N,1,2,5-tetramethyl-N-phenylpyrrole-3-carboxamide

C15H18N2O — CID 110691301

IUPACN,1,2,5-tetramethyl-N-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)c2ccccc2)c(C)n1C
InChIInChI=1S/C15H18N2O/c1-11-10-14(12(2)16(11)3)15(18)17(4)13-8-6-5-7-9-13/h5-10H,1-4H3
InChIKeyXGKXSKSQMCOOLS-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.92
Rot. Bonds2

About N,1,2,5-tetramethyl-N-phenylpyrrole-3-carboxamide

N,1,2,5-tetramethyl-N-phenylpyrrole-3-carboxamide (PubChem CID 110691301) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N,1,2,5-tetramethyl-N-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN,1,2,5-tetramethyl-N-phenylpyrrole-3-carboxamide
PubChem CID110691301
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN,1,2,5-tetramethyl-N-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)c2ccccc2)c(C)n1C
InChIInChI=1S/C15H18N2O/c1-11-10-14(12(2)16(11)3)15(18)17(4)13-8-6-5-7-9-13/h5-10H,1-4H3
InChIKeyXGKXSKSQMCOOLS-UHFFFAOYSA-N
XLogP2.92
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1,2,5-tetramethyl-N-phenylpyrrole-3-carboxamide?
The IUPAC name of N,1,2,5-tetramethyl-N-phenylpyrrole-3-carboxamide (CID 110691301) is N,1,2,5-tetramethyl-N-phenylpyrrole-3-carboxamide.
What is the SMILES notation for N,1,2,5-tetramethyl-N-phenylpyrrole-3-carboxamide?
The canonical SMILES for N,1,2,5-tetramethyl-N-phenylpyrrole-3-carboxamide is Cc1cc(C(=O)N(C)c2ccccc2)c(C)n1C.
What is the InChIKey of N,1,2,5-tetramethyl-N-phenylpyrrole-3-carboxamide?
The InChIKey is XGKXSKSQMCOOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-10-14(12(2)16(11)3)15(18)17(4)13-8-6-5-7-9-13/h5-10H,1-4H3.
What are the key properties of N,1,2,5-tetramethyl-N-phenylpyrrole-3-carboxamide?
N,1,2,5-tetramethyl-N-phenylpyrrole-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,2,5-tetramethyl-N-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 110691301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).