ethyl 4-(cyclohexylamino)-5-oxo-1-pyridin-2-yl-2H-pyrrole-3-carboxylate

C18H23N3O3 — CID 66572410

IUPACethyl 4-(cyclohexylamino)-5-oxo-1-pyridin-2-yl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(NC2CCCCC2)C(=O)N(c2ccccn2)C1
InChIInChI=1S/C18H23N3O3/c1-2-24-18(23)14-12-21(15-10-6-7-11-19-15)17(22)16(14)20-13-8-4-3-5-9-13/h6-7,10-11,13,20H,2-5,8-9,12H2,1H3
InChIKeySTKUWOCHXYAYNQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.17
Rot. Bonds5

About ethyl 4-(cyclohexylamino)-5-oxo-1-pyridin-2-yl-2H-pyrrole-3-carboxylate

ethyl 4-(cyclohexylamino)-5-oxo-1-pyridin-2-yl-2H-pyrrole-3-carboxylate (PubChem CID 66572410) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 4-(cyclohexylamino)-5-oxo-1-pyridin-2-yl-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclohexylamino)-5-oxo-1-pyridin-2-yl-2H-pyrrole-3-carboxylate
PubChem CID66572410
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Nameethyl 4-(cyclohexylamino)-5-oxo-1-pyridin-2-yl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(NC2CCCCC2)C(=O)N(c2ccccn2)C1
InChIInChI=1S/C18H23N3O3/c1-2-24-18(23)14-12-21(15-10-6-7-11-19-15)17(22)16(14)20-13-8-4-3-5-9-13/h6-7,10-11,13,20H,2-5,8-9,12H2,1H3
InChIKeySTKUWOCHXYAYNQ-UHFFFAOYSA-N
XLogP2.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(cyclohexylamino)-5-oxo-1-pyridin-2-yl-2H-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

Ethyl 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoate
CID 118719593
8-methyl-6-(pyridin-2-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 162649518
4-Amino-1,2-Dihydro-2-Oxo-1,8-Naphthyridine-3-Carboxylic Acid Ethyl Ester
CID 12818603
1-Methyl-1,2-Dihydro-2-Oxo-4-(1-Pyrrolidinyl)-1,8-Naphthyridine-3-Carboxylic Acid Ethyl Ester
CID 12818607
1-Methyl-1,2-Dihydro-4-(4-Methyl-1-Piperazinyl)-2-Oxo-1,8-Naphthyridine-3-Carboxylic Acid Ethyl Ester
CID 12818610
Ethyl 4-amino-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate
CID 12818614
Ethyl 4-amino-2-oxo-1-propyl-1,8-naphthyridine-3-carboxylate
CID 12818618
4-Amino-1-Isobutyl-1,2-Dihydro-2-Oxo-1,8-Naphthyridine-3-Carboxylic Acid Ethyl Ester
CID 12818619
4-Amino-1-Cyclohexyl-1,2-Dihydro-2-Oxo-1,8-Naphthyridine-3-Carboxylic Acid Ethyl Ester
CID 12818620
1-Allyl-4-amino-1,2-dihydro-2-oxo-1,8-naphthyridine-3-carboxylic acid ethyl ester
CID 12818621
4-Amino-1-ethyl-1,2-dihydro-2-oxo-1,8-naphthyridine-3-carboxylic acid ethyl ester
CID 12818632
Ethyl 4-(diacetylamino)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate
CID 12818633

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclohexylamino)-5-oxo-1-pyridin-2-yl-2H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-(cyclohexylamino)-5-oxo-1-pyridin-2-yl-2H-pyrrole-3-carboxylate (CID 66572410) is ethyl 4-(cyclohexylamino)-5-oxo-1-pyridin-2-yl-2H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-(cyclohexylamino)-5-oxo-1-pyridin-2-yl-2H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-(cyclohexylamino)-5-oxo-1-pyridin-2-yl-2H-pyrrole-3-carboxylate is CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(c2ccccn2)C1.
What is the InChIKey of ethyl 4-(cyclohexylamino)-5-oxo-1-pyridin-2-yl-2H-pyrrole-3-carboxylate?
The InChIKey is STKUWOCHXYAYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-24-18(23)14-12-21(15-10-6-7-11-19-15)17(22)16(14)20-13-8-4-3-5-9-13/h6-7,10-11,13,20H,2-5,8-9,12H2,1H3.
What are the key properties of ethyl 4-(cyclohexylamino)-5-oxo-1-pyridin-2-yl-2H-pyrrole-3-carboxylate?
ethyl 4-(cyclohexylamino)-5-oxo-1-pyridin-2-yl-2H-pyrrole-3-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclohexylamino)-5-oxo-1-pyridin-2-yl-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 66572410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).