methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate

C19H20N4O3 — CID 126639866

IUPACmethyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(NC(=O)c3cc(N)cn3C)cc2)cn1C
InChIInChI=1S/C19H20N4O3/c1-22-10-13(8-17(22)19(25)26-3)12-4-6-15(7-5-12)21-18(24)16-9-14(20)11-23(16)2/h4-11H,20H2,1-3H3,(H,21,24)
InChIKeyRQKYHGRGPYDIRF-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.65
Rot. Bonds4

About methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate

methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate (PubChem CID 126639866) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate
PubChem CID126639866
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Namemethyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(NC(=O)c3cc(N)cn3C)cc2)cn1C
InChIInChI=1S/C19H20N4O3/c1-22-10-13(8-17(22)19(25)26-3)12-4-6-15(7-5-12)21-18(24)16-9-14(20)11-23(16)2/h4-11H,20H2,1-3H3,(H,21,24)
InChIKeyRQKYHGRGPYDIRF-UHFFFAOYSA-N
XLogP2.65
TPSA91.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
CID 61117355
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
4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide
CID 43642890
ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
CID 61112295
prop-2-enyl N-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]carbamate;hydrochloride
CID 171802265
methyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate
CID 58326664
4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 61236398
methyl 4-[4-[[4-[[4-[4-(dimethylamino)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]phenyl]-1-methylpyrrole-2-carboxylate
CID 69156537
methyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate
CID 117223159
4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43642860
methyl 1-methyl-4-[4-[(1-methyl-4-propan-2-ylimidazole-2-carbonyl)amino]phenyl]pyrrole-2-carboxylate
CID 118069032
4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methyl-N-[2-methyl-2-(methyldisulfanyl)propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[4-[1-methyl-5-[[2-methyl-2-(methyldisulfanyl)propyl]carbamoyl]pyrrol-3-yl]phenyl]pyrrole-2-carboxamide
CID 159641415

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate (CID 126639866) is methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate is COC(=O)c1cc(-c2ccc(NC(=O)c3cc(N)cn3C)cc2)cn1C.
What is the InChIKey of methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is RQKYHGRGPYDIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-22-10-13(8-17(22)19(25)26-3)12-4-6-15(7-5-12)21-18(24)16-9-14(20)11-23(16)2/h4-11H,20H2,1-3H3,(H,21,24).
What are the key properties of methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate?
methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 126639866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).