ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate

C15H17N3O3 — CID 61112295

IUPACethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(N)cn2C)cc1
InChIInChI=1S/C15H17N3O3/c1-3-21-15(20)10-4-6-12(7-5-10)17-14(19)13-8-11(16)9-18(13)2/h4-9H,3,16H2,1-2H3,(H,17,19)
InChIKeySUGGSJTYHGZFGM-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.04
Rot. Bonds4

About ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate

ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate (PubChem CID 61112295) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
PubChem CID61112295
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(N)cn2C)cc1
InChIInChI=1S/C15H17N3O3/c1-3-21-15(20)10-4-6-12(7-5-10)17-14(19)13-8-11(16)9-18(13)2/h4-9H,3,16H2,1-2H3,(H,17,19)
InChIKeySUGGSJTYHGZFGM-UHFFFAOYSA-N
XLogP2.04
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
CID 61117355
4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide
CID 43642890
prop-2-enyl N-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]carbamate;hydrochloride
CID 171802265
ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylimidazole-2-carboxylate
CID 59799146
ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate
CID 28748768
methyl 4-[[4-[[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 147658735
ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 29204718
ethyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]benzoate
CID 16654015
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
ethyl 4-[[1-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonylpyrrole-2-carbonyl]amino]benzoate
CID 93059386
ethyl 4-[[3-(4-ethylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108968302
4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43642860

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate (CID 61112295) is ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cc(N)cn2C)cc1.
What is the InChIKey of ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate?
The InChIKey is SUGGSJTYHGZFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-21-15(20)10-4-6-12(7-5-10)17-14(19)13-8-11(16)9-18(13)2/h4-9H,3,16H2,1-2H3,(H,17,19).
What are the key properties of ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate?
ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate has a molecular weight of 287.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate is sourced from PubChem (CID 61112295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).