methyl 2-ethyl-4-methyl-5-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate

C16H19N3O3 — CID 35029418

IUPACmethyl 2-ethyl-4-methyl-5-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)Nc2cc(C)ccn2)c(C)c1C(=O)OC
InChIInChI=1S/C16H19N3O3/c1-5-11-13(16(21)22-4)10(3)14(18-11)15(20)19-12-8-9(2)6-7-17-12/h6-8,18H,5H2,1-4H3,(H,17,19,20)
InChIKeyAQAHERJADVTYER-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.63
Rot. Bonds4

About methyl 2-ethyl-4-methyl-5-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate

methyl 2-ethyl-4-methyl-5-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate (PubChem CID 35029418) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is methyl 2-ethyl-4-methyl-5-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-methyl-5-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate
PubChem CID35029418
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namemethyl 2-ethyl-4-methyl-5-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)Nc2cc(C)ccn2)c(C)c1C(=O)OC
InChIInChI=1S/C16H19N3O3/c1-5-11-13(16(21)22-4)10(3)14(18-11)15(20)19-12-8-9(2)6-7-17-12/h6-8,18H,5H2,1-4H3,(H,17,19,20)
InChIKeyAQAHERJADVTYER-UHFFFAOYSA-N
XLogP2.63
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-ethyl-4-methyl-5-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[(2-chloro-4-methylphenyl)carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 30848189
ethyl 3,5-dimethyl-4-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-2-carboxylate
CID 43953879
methyl 2-ethyl-4-methyl-5-[[3-oxo-3-(pyridin-2-ylamino)propyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 47056285
methyl 2-ethyl-4-methyl-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 55767652
methyl 2-ethyl-4-methyl-5-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 17456589
5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid
CID 2446824
methyl 5-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 55891890
methyl 2-ethyl-4-methyl-5-[[phenyl(pyridin-2-yl)methyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 46554484
4-amino-N-(4-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 63107417
methyl 5-[[3-(1,3-dioxoisoindol-2-yl)phenyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 56506931
methyl 2-ethyl-4-methyl-5-[[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 55785342
methyl 5-(1-cyclopropylethylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 47123942

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-methyl-5-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2-ethyl-4-methyl-5-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate (CID 35029418) is methyl 2-ethyl-4-methyl-5-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-4-methyl-5-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-4-methyl-5-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate is CCc1[nH]c(C(=O)Nc2cc(C)ccn2)c(C)c1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-methyl-5-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate?
The InChIKey is AQAHERJADVTYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-5-11-13(16(21)22-4)10(3)14(18-11)15(20)19-12-8-9(2)6-7-17-12/h6-8,18H,5H2,1-4H3,(H,17,19,20).
What are the key properties of methyl 2-ethyl-4-methyl-5-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate?
methyl 2-ethyl-4-methyl-5-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-methyl-5-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 35029418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).