N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C11H11N3O — CID 110474918

IUPACN-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESC=CCNC(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C11H11N3O/c1-2-5-13-11(15)9-7-14-10-8(9)4-3-6-12-10/h2-4,6-7H,1,5H2,(H,12,14)(H,13,15)
InChIKeyRKPJIFTTYZEKQU-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.48
Rot. Bonds3

About N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 110474918) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID110474918
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC NameN-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESC=CCNC(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C11H11N3O/c1-2-5-13-11(15)9-7-14-10-8(9)4-3-6-12-10/h2-4,6-7H,1,5H2,(H,12,14)(H,13,15)
InChIKeyRKPJIFTTYZEKQU-UHFFFAOYSA-N
XLogP1.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474919
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
N-(2-hydroxypropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474928
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
N-[2-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 120829117
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
N-prop-2-enyl-2-(prop-2-enylamino)pyridine-3-carboxamide
CID 118705755
N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474998
N-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110475032
1-phenyl-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)thiourea
CID 58338482
2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
CID 43161303
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 110474918) is N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is C=CCNC(=O)c1c[nH]c2ncccc12.
What is the InChIKey of N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is RKPJIFTTYZEKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-5-13-11(15)9-7-14-10-8(9)4-3-6-12-10/h2-4,6-7H,1,5H2,(H,12,14)(H,13,15).
What are the key properties of N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 201.23 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 110474918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).