N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide

C17H14N4O — CID 134794214

IUPACN-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide
SMILESO=C(NCc1c[nH]c2ncccc12)c1cccc2[nH]ccc12
InChIInChI=1S/C17H14N4O/c22-17(14-3-1-5-15-13(14)6-8-18-15)21-10-11-9-20-16-12(11)4-2-7-19-16/h1-9,18H,10H2,(H,19,20)(H,21,22)
InChIKeyBINYDYIKDGJGAG-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.97
Rot. Bonds3

About N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide

N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide (PubChem CID 134794214) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide
PubChem CID134794214
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC NameN-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide
SMILESO=C(NCc1c[nH]c2ncccc12)c1cccc2[nH]ccc12
InChIInChI=1S/C17H14N4O/c22-17(14-3-1-5-15-13(14)6-8-18-15)21-10-11-9-20-16-12(11)4-2-7-19-16/h1-9,18H,10H2,(H,19,20)(H,21,22)
InChIKeyBINYDYIKDGJGAG-UHFFFAOYSA-N
XLogP2.97
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide
CID 61003404
N-(1,3-thiazol-2-ylmethyl)-1H-indole-4-carboxamide
CID 61285056
N-(1H-indol-3-ylmethyl)pyridine-2-carboxamide
CID 110673234
N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide
CID 62227209
N-(1,3-thiazol-5-ylmethyl)-1H-indole-4-carboxamide
CID 104583473
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide
CID 63283681
2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid
CID 69265593
1H-indole-4-carbohydrazide
CID 43316644
N-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide
CID 86723918
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1H-indole-4-carboxamide
CID 103721276
N-[(5-bromothiophen-2-yl)methyl]-1H-indole-4-carboxamide
CID 54899979
2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzamide
CID 66416408

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide?
The IUPAC name of N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide (CID 134794214) is N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide is O=C(NCc1c[nH]c2ncccc12)c1cccc2[nH]ccc12.
What is the InChIKey of N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide?
The InChIKey is BINYDYIKDGJGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c22-17(14-3-1-5-15-13(14)6-8-18-15)21-10-11-9-20-16-12(11)4-2-7-19-16/h1-9,18H,10H2,(H,19,20)(H,21,22).
What are the key properties of N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide?
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide is sourced from PubChem (CID 134794214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).