1-methyl-2-pentylpyrrolo[2,3-b]pyridin-4-amine

C13H19N3 — CID 175491909

IUPAC1-methyl-2-pentylpyrrolo[2,3-b]pyridin-4-amine
SMILESCCCCCc1cc2c(N)ccnc2n1C
InChIInChI=1S/C13H19N3/c1-3-4-5-6-10-9-11-12(14)7-8-15-13(11)16(10)2/h7-9H,3-6H2,1-2H3,(H2,14,15)
InChIKeyCNPIULDBPBSRNF-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.89
Rot. Bonds4

About 1-methyl-2-pentylpyrrolo[2,3-b]pyridin-4-amine

1-methyl-2-pentylpyrrolo[2,3-b]pyridin-4-amine (PubChem CID 175491909) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-methyl-2-pentylpyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name1-methyl-2-pentylpyrrolo[2,3-b]pyridin-4-amine
PubChem CID175491909
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-methyl-2-pentylpyrrolo[2,3-b]pyridin-4-amine
SMILESCCCCCc1cc2c(N)ccnc2n1C
InChIInChI=1S/C13H19N3/c1-3-4-5-6-10-9-11-12(14)7-8-15-13(11)16(10)2/h7-9H,3-6H2,1-2H3,(H2,14,15)
InChIKeyCNPIULDBPBSRNF-UHFFFAOYSA-N
XLogP2.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pentylpyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 1-methyl-2-pentylpyrrolo[2,3-b]pyridin-4-amine (CID 175491909) is 1-methyl-2-pentylpyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 1-methyl-2-pentylpyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 1-methyl-2-pentylpyrrolo[2,3-b]pyridin-4-amine is CCCCCc1cc2c(N)ccnc2n1C.
What is the InChIKey of 1-methyl-2-pentylpyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is CNPIULDBPBSRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-4-5-6-10-9-11-12(14)7-8-15-13(11)16(10)2/h7-9H,3-6H2,1-2H3,(H2,14,15).
What are the key properties of 1-methyl-2-pentylpyrrolo[2,3-b]pyridin-4-amine?
1-methyl-2-pentylpyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 217.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pentylpyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 175491909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).