5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide

C20H16N4O2 — CID 25166699

IUPAC5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(N)=O)c3)cc12
InChIInChI=1S/C20H16N4O2/c1-26-18-5-3-2-4-15(18)17-11-24-20-16(17)7-13(10-23-20)12-6-14(19(21)25)9-22-8-12/h2-11H,1H3,(H2,21,25)(H,23,24)
InChIKeyIQTRIJYSFAMJTR-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.40
Rot. Bonds4

About 5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide

5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide (PubChem CID 25166699) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
PubChem CID25166699
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(N)=O)c3)cc12
InChIInChI=1S/C20H16N4O2/c1-26-18-5-3-2-4-15(18)17-11-24-20-16(17)7-13(10-23-20)12-6-14(19(21)25)9-22-8-12/h2-11H,1H3,(H2,21,25)(H,23,24)
InChIKeyIQTRIJYSFAMJTR-UHFFFAOYSA-N
XLogP3.40
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
CID 16750094
1-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-1-ium-3-carboxamide
CID 59699717
N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;silver
CID 131739517
3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59699759
4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one
CID 11515215
4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 46234350
N,N-dimethyl-5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
CID 25166911
5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 59699789
N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 44554853
2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700190
2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol
CID 59700026
5-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 70973836

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide (CID 25166699) is 5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide is COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(N)=O)c3)cc12.
What is the InChIKey of 5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide?
The InChIKey is IQTRIJYSFAMJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-26-18-5-3-2-4-15(18)17-11-24-20-16(17)7-13(10-23-20)12-6-14(19(21)25)9-22-8-12/h2-11H,1H3,(H2,21,25)(H,23,24).
What are the key properties of 5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide?
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 25166699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).