N,2,5-trimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-pyridin-2-ylpyrrole-3-carboxamide

C22H24N4O2 — CID 55635322

IUPACN,2,5-trimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2cc(C)n(-c3ccccn3)c2C)cc1
InChIInChI=1S/C22H24N4O2/c1-15-8-10-18(11-9-15)24-21(27)14-25(4)22(28)19-13-16(2)26(17(19)3)20-7-5-6-12-23-20/h5-13H,14H2,1-4H3,(H,24,27)
InChIKeyVANHNZBRARVOQV-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.51
Rot. Bonds5

About N,2,5-trimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-pyridin-2-ylpyrrole-3-carboxamide

N,2,5-trimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-pyridin-2-ylpyrrole-3-carboxamide (PubChem CID 55635322) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N,2,5-trimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-pyridin-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-pyridin-2-ylpyrrole-3-carboxamide
PubChem CID55635322
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN,2,5-trimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2cc(C)n(-c3ccccn3)c2C)cc1
InChIInChI=1S/C22H24N4O2/c1-15-8-10-18(11-9-15)24-21(27)14-25(4)22(28)19-13-16(2)26(17(19)3)20-7-5-6-12-23-20/h5-13H,14H2,1-4H3,(H,24,27)
InChIKeyVANHNZBRARVOQV-UHFFFAOYSA-N
XLogP3.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-anilino-2-oxoethyl)-1-(4-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 55639307
N,2,5-trimethyl-N-[3-(2-methylphenoxy)propyl]-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55956171
2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55634814
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78894067
N,2,5-trimethyl-1-(2-methylphenyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrrole-3-carboxamide
CID 55347966
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenylbenzamide
CID 55339888
2,5-dimethyl-N-[2-(methylamino)propyl]-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120831614
2,5-dimethyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55838019
N,4-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 78816277
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 47005438
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-3-carboxamide
CID 103752364

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-pyridin-2-ylpyrrole-3-carboxamide?
The IUPAC name of N,2,5-trimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-pyridin-2-ylpyrrole-3-carboxamide (CID 55635322) is N,2,5-trimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-pyridin-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N,2,5-trimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-pyridin-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N,2,5-trimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-pyridin-2-ylpyrrole-3-carboxamide is Cc1ccc(NC(=O)CN(C)C(=O)c2cc(C)n(-c3ccccn3)c2C)cc1.
What is the InChIKey of N,2,5-trimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-pyridin-2-ylpyrrole-3-carboxamide?
The InChIKey is VANHNZBRARVOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-8-10-18(11-9-15)24-21(27)14-25(4)22(28)19-13-16(2)26(17(19)3)20-7-5-6-12-23-20/h5-13H,14H2,1-4H3,(H,24,27).
What are the key properties of N,2,5-trimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-pyridin-2-ylpyrrole-3-carboxamide?
N,2,5-trimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-pyridin-2-ylpyrrole-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-pyridin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 55635322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).