1-pentylpyrrolo[3,2-c]pyridine-3-carboxamide

C13H17N3O — CID 159841368

IUPAC1-pentylpyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCCCCCn1cc(C(N)=O)c2cnccc21
InChIInChI=1S/C13H17N3O/c1-2-3-4-7-16-9-11(13(14)17)10-8-15-6-5-12(10)16/h5-6,8-9H,2-4,7H2,1H3,(H2,14,17)
InChIKeyNOSHJQQVOJWDBQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.33
Rot. Bonds5

About 1-pentylpyrrolo[3,2-c]pyridine-3-carboxamide

1-pentylpyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 159841368) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-pentylpyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-pentylpyrrolo[3,2-c]pyridine-3-carboxamide
PubChem CID159841368
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-pentylpyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCCCCCn1cc(C(N)=O)c2cnccc21
InChIInChI=1S/C13H17N3O/c1-2-3-4-7-16-9-11(13(14)17)10-8-15-6-5-12(10)16/h5-6,8-9H,2-4,7H2,1H3,(H2,14,17)
InChIKeyNOSHJQQVOJWDBQ-UHFFFAOYSA-N
XLogP2.33
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.33
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-pentylpyrrolo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 1-pentylpyrrolo[3,2-c]pyridine-3-carboxamide (CID 159841368) is 1-pentylpyrrolo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-pentylpyrrolo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 1-pentylpyrrolo[3,2-c]pyridine-3-carboxamide is CCCCCn1cc(C(N)=O)c2cnccc21.
What is the InChIKey of 1-pentylpyrrolo[3,2-c]pyridine-3-carboxamide?
The InChIKey is NOSHJQQVOJWDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-3-4-7-16-9-11(13(14)17)10-8-15-6-5-12(10)16/h5-6,8-9H,2-4,7H2,1H3,(H2,14,17).
What are the key properties of 1-pentylpyrrolo[3,2-c]pyridine-3-carboxamide?
1-pentylpyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylpyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 159841368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).