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

C18H13N3O — CID 141390644

IUPACN-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1cc2cccnc2[nH]1
InChIInChI=1S/C18H13N3O/c22-18(16-11-14-6-3-9-19-17(14)21-16)20-15-8-7-12-4-1-2-5-13(12)10-15/h1-11H,(H,19,21)(H,20,22)
InChIKeyIUPNYEUXEOPPDR-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.97
Rot. Bonds2

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

N-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 141390644) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is N-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID141390644
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC NameN-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1cc2cccnc2[nH]1
InChIInChI=1S/C18H13N3O/c22-18(16-11-14-6-3-9-19-17(14)21-16)20-15-8-7-12-4-1-2-5-13(12)10-15/h1-11H,(H,19,21)(H,20,22)
InChIKeyIUPNYEUXEOPPDR-UHFFFAOYSA-N
XLogP3.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 53486940
2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide
CID 110467556
N-(2,6-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390705
7-chloro-N-naphthalen-2-yl-1H-indole-2-carboxamide
CID 108791741
N-naphthalen-2-yl-6-oxo-1H-pyridine-2-carboxamide
CID 107261405
molecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 156715490
N-naphthalen-2-yl-4-pyridin-2-ylbenzamide
CID 59673032
N-quinolin-6-ylbenzamide
CID 833617
N-naphthalen-2-ylpyrimidine-4-carboxamide
CID 140508314
N-naphthalen-2-ylquinoline-5-carboxamide
CID 43038035
5-fluoro-N-quinolin-6-yl-1H-indole-2-carboxamide
CID 4905152
N-(2-chloro-6-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390702

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 141390644) is N-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is O=C(Nc1ccc2ccccc2c1)c1cc2cccnc2[nH]1.
What is the InChIKey of N-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is IUPNYEUXEOPPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c22-18(16-11-14-6-3-9-19-17(14)21-16)20-15-8-7-12-4-1-2-5-13(12)10-15/h1-11H,(H,19,21)(H,20,22).
What are the key properties of N-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 141390644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).