2-(2-pyrrol-1-yl-4-pyridinyl)propan-2-yl carbamate

C13H15N3O2 — CID 154403405

IUPAC2-(2-pyrrol-1-yl-4-pyridinyl)propan-2-yl carbamate
SMILESCC(C)(OC(N)=O)c1ccnc(-n2cccc2)c1
InChIInChI=1S/C13H15N3O2/c1-13(2,18-12(14)17)10-5-6-15-11(9-10)16-7-3-4-8-16/h3-9H,1-2H3,(H2,14,17)
InChIKeyLFBSYVLYNLSQGY-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.20
Rot. Bonds3

About 2-(2-pyrrol-1-yl-4-pyridinyl)propan-2-yl carbamate

2-(2-pyrrol-1-yl-4-pyridinyl)propan-2-yl carbamate (PubChem CID 154403405) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(2-pyrrol-1-yl-4-pyridinyl)propan-2-yl carbamate.

Molecular Properties

Compound Name2-(2-pyrrol-1-yl-4-pyridinyl)propan-2-yl carbamate
PubChem CID154403405
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(2-pyrrol-1-yl-4-pyridinyl)propan-2-yl carbamate
SMILESCC(C)(OC(N)=O)c1ccnc(-n2cccc2)c1
InChIInChI=1S/C13H15N3O2/c1-13(2,18-12(14)17)10-5-6-15-11(9-10)16-7-3-4-8-16/h3-9H,1-2H3,(H2,14,17)
InChIKeyLFBSYVLYNLSQGY-UHFFFAOYSA-N
XLogP2.20
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrol-1-yl-4-pyridinyl)propan-2-yl carbamate?
The IUPAC name of 2-(2-pyrrol-1-yl-4-pyridinyl)propan-2-yl carbamate (CID 154403405) is 2-(2-pyrrol-1-yl-4-pyridinyl)propan-2-yl carbamate.
What is the SMILES notation for 2-(2-pyrrol-1-yl-4-pyridinyl)propan-2-yl carbamate?
The canonical SMILES for 2-(2-pyrrol-1-yl-4-pyridinyl)propan-2-yl carbamate is CC(C)(OC(N)=O)c1ccnc(-n2cccc2)c1.
What is the InChIKey of 2-(2-pyrrol-1-yl-4-pyridinyl)propan-2-yl carbamate?
The InChIKey is LFBSYVLYNLSQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-13(2,18-12(14)17)10-5-6-15-11(9-10)16-7-3-4-8-16/h3-9H,1-2H3,(H2,14,17).
What are the key properties of 2-(2-pyrrol-1-yl-4-pyridinyl)propan-2-yl carbamate?
2-(2-pyrrol-1-yl-4-pyridinyl)propan-2-yl carbamate has a molecular weight of 245.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrol-1-yl-4-pyridinyl)propan-2-yl carbamate is sourced from PubChem (CID 154403405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).