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

C11H13N3O — CID 110474919

IUPACN-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCCNC(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C11H13N3O/c1-2-5-13-11(15)9-7-14-10-8(9)4-3-6-12-10/h3-4,6-7H,2,5H2,1H3,(H,12,14)(H,13,15)
InChIKeyLBXWYJNYGHTXCH-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.70
Rot. Bonds3

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

N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 110474919) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID110474919
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCCNC(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C11H13N3O/c1-2-5-13-11(15)9-7-14-10-8(9)4-3-6-12-10/h3-4,6-7H,2,5H2,1H3,(H,12,14)(H,13,15)
InChIKeyLBXWYJNYGHTXCH-UHFFFAOYSA-N
XLogP1.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxypropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474928
N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474918
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-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474998
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one
CID 62678587
N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide
CID 66414448
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one
CID 58217085
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
CID 43161303
N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 161285453

Frequently Asked Questions

What is the IUPAC name of N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 110474919) is N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is CCCNC(=O)c1c[nH]c2ncccc12.
What is the InChIKey of N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is LBXWYJNYGHTXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-5-13-11(15)9-7-14-10-8(9)4-3-6-12-10/h3-4,6-7H,2,5H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 203.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 110474919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).