2-methylpropyl 1-carbamoylpyrrolo[3,2-c]pyridine-7-carboxylate

C13H15N3O3 — CID 91304632

IUPAC2-methylpropyl 1-carbamoylpyrrolo[3,2-c]pyridine-7-carboxylate
SMILESCC(C)COC(=O)c1cncc2ccn(C(N)=O)c12
InChIInChI=1S/C13H15N3O3/c1-8(2)7-19-12(17)10-6-15-5-9-3-4-16(11(9)10)13(14)18/h3-6,8H,7H2,1-2H3,(H2,14,18)
InChIKeyWEVGMWMEZMKFOD-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.78
Rot. Bonds3

About 2-methylpropyl 1-carbamoylpyrrolo[3,2-c]pyridine-7-carboxylate

2-methylpropyl 1-carbamoylpyrrolo[3,2-c]pyridine-7-carboxylate (PubChem CID 91304632) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-methylpropyl 1-carbamoylpyrrolo[3,2-c]pyridine-7-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-carbamoylpyrrolo[3,2-c]pyridine-7-carboxylate
PubChem CID91304632
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-methylpropyl 1-carbamoylpyrrolo[3,2-c]pyridine-7-carboxylate
SMILESCC(C)COC(=O)c1cncc2ccn(C(N)=O)c12
InChIInChI=1S/C13H15N3O3/c1-8(2)7-19-12(17)10-6-15-5-9-3-4-16(11(9)10)13(14)18/h3-6,8H,7H2,1-2H3,(H2,14,18)
InChIKeyWEVGMWMEZMKFOD-UHFFFAOYSA-N
XLogP1.78
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-carbamoylpyrrolo[3,2-c]pyridine-7-carboxylate?
The IUPAC name of 2-methylpropyl 1-carbamoylpyrrolo[3,2-c]pyridine-7-carboxylate (CID 91304632) is 2-methylpropyl 1-carbamoylpyrrolo[3,2-c]pyridine-7-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-carbamoylpyrrolo[3,2-c]pyridine-7-carboxylate?
The canonical SMILES for 2-methylpropyl 1-carbamoylpyrrolo[3,2-c]pyridine-7-carboxylate is CC(C)COC(=O)c1cncc2ccn(C(N)=O)c12.
What is the InChIKey of 2-methylpropyl 1-carbamoylpyrrolo[3,2-c]pyridine-7-carboxylate?
The InChIKey is WEVGMWMEZMKFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8(2)7-19-12(17)10-6-15-5-9-3-4-16(11(9)10)13(14)18/h3-6,8H,7H2,1-2H3,(H2,14,18).
What are the key properties of 2-methylpropyl 1-carbamoylpyrrolo[3,2-c]pyridine-7-carboxylate?
2-methylpropyl 1-carbamoylpyrrolo[3,2-c]pyridine-7-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-carbamoylpyrrolo[3,2-c]pyridine-7-carboxylate is sourced from PubChem (CID 91304632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).