6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide

C13H10N4O — CID 164603219

IUPAC6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-c2ccnc3[nH]ccc23)nc1
InChIInChI=1S/C13H10N4O/c14-12(18)8-1-2-11(17-7-8)9-3-5-15-13-10(9)4-6-16-13/h1-7H,(H2,14,18)(H,15,16)
InChIKeyXIZBVLYAPMLAES-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.72
Rot. Bonds2

About 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide

6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide (PubChem CID 164603219) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
PubChem CID164603219
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-c2ccnc3[nH]ccc23)nc1
InChIInChI=1S/C13H10N4O/c14-12(18)8-1-2-11(17-7-8)9-3-5-15-13-10(9)4-6-16-13/h1-7H,(H2,14,18)(H,15,16)
InChIKeyXIZBVLYAPMLAES-UHFFFAOYSA-N
XLogP1.72
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57482985
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
CID 69192349
1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 23515094
N-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603267
N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603457
N-[(1S,3S)-7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603273
N-[(2S,3S)-5,6-difluoro-3-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603408
[4-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]piperazin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 171673921
3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 166205015
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 11999608
2-amino-3-hydroxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide
CID 175833948
5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
CID 170649361

Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide (CID 164603219) is 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide is NC(=O)c1ccc(-c2ccnc3[nH]ccc23)nc1.
What is the InChIKey of 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?
The InChIKey is XIZBVLYAPMLAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-12(18)8-1-2-11(17-7-8)9-3-5-15-13-10(9)4-6-16-13/h1-7H,(H2,14,18)(H,15,16).
What are the key properties of 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?
6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 164603219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).