ethyl 2,4-dimethyl-5-(2-propan-2-yliminopyridine-1-carbonyl)-1H-pyrrole-3-carboxylate

C18H23N3O3 — CID 51112089

IUPACethyl 2,4-dimethyl-5-(2-propan-2-yliminopyridine-1-carbonyl)-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)n2cccc/c2=N\C(C)C)c1C
InChIInChI=1S/C18H23N3O3/c1-6-24-18(23)15-12(4)16(20-13(15)5)17(22)21-10-8-7-9-14(21)19-11(2)3/h7-11,20H,6H2,1-5H3/b19-14+
InChIKeyMACSVABTIRKLSF-XMHGGMMESA-N
MW329.40 g/mol
LogP2.61
Rot. Bonds4

About ethyl 2,4-dimethyl-5-(2-propan-2-yliminopyridine-1-carbonyl)-1H-pyrrole-3-carboxylate

ethyl 2,4-dimethyl-5-(2-propan-2-yliminopyridine-1-carbonyl)-1H-pyrrole-3-carboxylate (PubChem CID 51112089) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-5-(2-propan-2-yliminopyridine-1-carbonyl)-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-5-(2-propan-2-yliminopyridine-1-carbonyl)-1H-pyrrole-3-carboxylate
PubChem CID51112089
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Nameethyl 2,4-dimethyl-5-(2-propan-2-yliminopyridine-1-carbonyl)-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)n2cccc/c2=N\C(C)C)c1C
InChIInChI=1S/C18H23N3O3/c1-6-24-18(23)15-12(4)16(20-13(15)5)17(22)21-10-8-7-9-14(21)19-11(2)3/h7-11,20H,6H2,1-5H3/b19-14+
InChIKeyMACSVABTIRKLSF-XMHGGMMESA-N
XLogP2.61
TPSA76.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2,4-dimethyl-5-(2-propan-2-yliminopyridine-1-carbonyl)-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

2-O-ethyl 4-O-(imidazo[1,2-a]pyridin-2-ylmethyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7173028
4-O-ethyl 2-O-(2-methoxyphenyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 51149667
ethyl 5-(benzhydrylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7930994
ethyl 2,4-dimethyl-5-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate
CID 3670675
ethyl 5-[(2R)-2-(benzhydrylamino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7971122
ethyl 2,4-dimethyl-5-[(2-propan-2-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 17445476
benzhydryl-[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]azanium
CID 7971126
ethyl 5-[(2S)-2-(2-chlorophenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7816032
ethyl 5-[(2R)-2-[2-(2-methoxyphenoxy)acetyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 40578765
ethyl 2,4-dimethyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 134051396
ethyl 5-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 4817356
ethyl 5-[2-(4-benzhydrylpiperazin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 5166366

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-5-(2-propan-2-yliminopyridine-1-carbonyl)-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2,4-dimethyl-5-(2-propan-2-yliminopyridine-1-carbonyl)-1H-pyrrole-3-carboxylate (CID 51112089) is ethyl 2,4-dimethyl-5-(2-propan-2-yliminopyridine-1-carbonyl)-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethyl-5-(2-propan-2-yliminopyridine-1-carbonyl)-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2,4-dimethyl-5-(2-propan-2-yliminopyridine-1-carbonyl)-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C(=O)n2cccc/c2=N\C(C)C)c1C.
What is the InChIKey of ethyl 2,4-dimethyl-5-(2-propan-2-yliminopyridine-1-carbonyl)-1H-pyrrole-3-carboxylate?
The InChIKey is MACSVABTIRKLSF-XMHGGMMESA-N. The full InChI is InChI=1S/C18H23N3O3/c1-6-24-18(23)15-12(4)16(20-13(15)5)17(22)21-10-8-7-9-14(21)19-11(2)3/h7-11,20H,6H2,1-5H3/b19-14+.
What are the key properties of ethyl 2,4-dimethyl-5-(2-propan-2-yliminopyridine-1-carbonyl)-1H-pyrrole-3-carboxylate?
ethyl 2,4-dimethyl-5-(2-propan-2-yliminopyridine-1-carbonyl)-1H-pyrrole-3-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethyl-5-(2-propan-2-yliminopyridine-1-carbonyl)-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 51112089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).