N-butyl-3-formyl-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide

C14H17N3O2 — CID 86621121

IUPACN-butyl-3-formyl-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCCCCN(C)C(=O)n1cc(C=O)c2cccnc21
InChIInChI=1S/C14H17N3O2/c1-3-4-8-16(2)14(19)17-9-11(10-18)12-6-5-7-15-13(12)17/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyNAGYQZFONQAJQD-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.55
Rot. Bonds4

About N-butyl-3-formyl-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide

N-butyl-3-formyl-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide (PubChem CID 86621121) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-butyl-3-formyl-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-3-formyl-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide
PubChem CID86621121
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-butyl-3-formyl-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCCCCN(C)C(=O)n1cc(C=O)c2cccnc21
InChIInChI=1S/C14H17N3O2/c1-3-4-8-16(2)14(19)17-9-11(10-18)12-6-5-7-15-13(12)17/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyNAGYQZFONQAJQD-UHFFFAOYSA-N
XLogP2.55
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-formyl-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide?
The IUPAC name of N-butyl-3-formyl-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide (CID 86621121) is N-butyl-3-formyl-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide.
What is the SMILES notation for N-butyl-3-formyl-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide?
The canonical SMILES for N-butyl-3-formyl-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide is CCCCN(C)C(=O)n1cc(C=O)c2cccnc21.
What is the InChIKey of N-butyl-3-formyl-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide?
The InChIKey is NAGYQZFONQAJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-4-8-16(2)14(19)17-9-11(10-18)12-6-5-7-15-13(12)17/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of N-butyl-3-formyl-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide?
N-butyl-3-formyl-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-formyl-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 86621121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).