methyl 1-methyl-4-[(4-methyl-1H-pyrrole-2-carbonyl)amino]pyrrole-2-carboxylate

C13H15N3O3 — CID 145376002

IUPACmethyl 1-methyl-4-[(4-methyl-1H-pyrrole-2-carbonyl)amino]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cc(C)c[nH]2)cn1C
InChIInChI=1S/C13H15N3O3/c1-8-4-10(14-6-8)12(17)15-9-5-11(13(18)19-3)16(2)7-9/h4-7,14H,1-3H3,(H,15,17)
InChIKeyFSXKUGMSHSQKCI-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.70
Rot. Bonds3

About methyl 1-methyl-4-[(4-methyl-1H-pyrrole-2-carbonyl)amino]pyrrole-2-carboxylate

methyl 1-methyl-4-[(4-methyl-1H-pyrrole-2-carbonyl)amino]pyrrole-2-carboxylate (PubChem CID 145376002) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 1-methyl-4-[(4-methyl-1H-pyrrole-2-carbonyl)amino]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[(4-methyl-1H-pyrrole-2-carbonyl)amino]pyrrole-2-carboxylate
PubChem CID145376002
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Namemethyl 1-methyl-4-[(4-methyl-1H-pyrrole-2-carbonyl)amino]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cc(C)c[nH]2)cn1C
InChIInChI=1S/C13H15N3O3/c1-8-4-10(14-6-8)12(17)15-9-5-11(13(18)19-3)16(2)7-9/h4-7,14H,1-3H3,(H,15,17)
InChIKeyFSXKUGMSHSQKCI-UHFFFAOYSA-N
XLogP1.70
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[(4-methyl-1H-pyrrole-2-carbonyl)amino]pyrrole-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-[(4-methyl-1H-pyrrole-2-carbonyl)amino]pyrrole-2-carboxylate (CID 145376002) is methyl 1-methyl-4-[(4-methyl-1H-pyrrole-2-carbonyl)amino]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[(4-methyl-1H-pyrrole-2-carbonyl)amino]pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[(4-methyl-1H-pyrrole-2-carbonyl)amino]pyrrole-2-carboxylate is COC(=O)c1cc(NC(=O)c2cc(C)c[nH]2)cn1C.
What is the InChIKey of methyl 1-methyl-4-[(4-methyl-1H-pyrrole-2-carbonyl)amino]pyrrole-2-carboxylate?
The InChIKey is FSXKUGMSHSQKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-4-10(14-6-8)12(17)15-9-5-11(13(18)19-3)16(2)7-9/h4-7,14H,1-3H3,(H,15,17).
What are the key properties of methyl 1-methyl-4-[(4-methyl-1H-pyrrole-2-carbonyl)amino]pyrrole-2-carboxylate?
methyl 1-methyl-4-[(4-methyl-1H-pyrrole-2-carbonyl)amino]pyrrole-2-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[(4-methyl-1H-pyrrole-2-carbonyl)amino]pyrrole-2-carboxylate is sourced from PubChem (CID 145376002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).