N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide

C21H18N4O3 — CID 10156251

IUPACN-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2cnc3[nH]cc(NC(=O)c4cccnc4)c3c2)cc1OC
InChIInChI=1S/C21H18N4O3/c1-27-18-6-5-13(9-19(18)28-2)15-8-16-17(12-24-20(16)23-11-15)25-21(26)14-4-3-7-22-10-14/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyACBZBWFKUGVGRC-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.89
Rot. Bonds5

About N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide

N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide (PubChem CID 10156251) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
PubChem CID10156251
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2cnc3[nH]cc(NC(=O)c4cccnc4)c3c2)cc1OC
InChIInChI=1S/C21H18N4O3/c1-27-18-6-5-13(9-19(18)28-2)15-8-16-17(12-24-20(16)23-11-15)25-21(26)14-4-3-7-22-10-14/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyACBZBWFKUGVGRC-UHFFFAOYSA-N
XLogP3.89
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide (CID 10156251) is N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide is COc1ccc(-c2cnc3[nH]cc(NC(=O)c4cccnc4)c3c2)cc1OC.
What is the InChIKey of N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
The InChIKey is ACBZBWFKUGVGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-18-6-5-13(9-19(18)28-2)15-8-16-17(12-24-20(16)23-11-15)25-21(26)14-4-3-7-22-10-14/h3-12H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 10156251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).