N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide

C17H17N3O — CID 58897016

IUPACN-propyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESCCCNC(=O)c1ccccc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C17H17N3O/c1-2-9-20-17(21)15-6-4-3-5-12(15)13-7-10-18-16-14(13)8-11-19-16/h3-8,10-11H,2,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyRGXSMNMMSXUKCZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.37
Rot. Bonds4

About N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide

N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide (PubChem CID 58897016) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide.

Molecular Properties

Compound NameN-propyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
PubChem CID58897016
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-propyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESCCCNC(=O)c1ccccc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C17H17N3O/c1-2-9-20-17(21)15-6-4-3-5-12(15)13-7-10-18-16-14(13)8-11-19-16/h3-8,10-11H,2,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyRGXSMNMMSXUKCZ-UHFFFAOYSA-N
XLogP3.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474919
N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 56893507
N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 59268074
N-ethyl-2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 70715053
N-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57483005
1-butyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea
CID 175807595
[2-(propylcarbamoyl)phenyl]boronic acid
CID 71302340
2-hydrazinyl-N-propylbenzamide
CID 62238054
N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24803135
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
4-N-butyl-7-N-propyl-1,10-phenanthroline-4,7-dicarboxamide
CID 18719623
1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea
CID 175807775

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The IUPAC name of N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide (CID 58897016) is N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide.
What is the SMILES notation for N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The canonical SMILES for N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide is CCCNC(=O)c1ccccc1-c1ccnc2[nH]ccc12.
What is the InChIKey of N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The InChIKey is RGXSMNMMSXUKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-9-20-17(21)15-6-4-3-5-12(15)13-7-10-18-16-14(13)8-11-19-16/h3-8,10-11H,2,9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide is sourced from PubChem (CID 58897016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).