2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

C16H13Cl2N3O3 — CID 25122284

IUPAC2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESCOc1cc(OC)c(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1Cl
InChIInChI=1S/C16H13Cl2N3O3/c1-23-10-6-11(24-2)14(18)12(13(10)17)16(22)21-9-5-8-3-4-19-15(8)20-7-9/h3-7H,1-2H3,(H,19,20)(H,21,22)
InChIKeyRYADBGCNLMHPDA-UHFFFAOYSA-N
MW366.20 g/mol
LogP4.14
Rot. Bonds4

About 2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (PubChem CID 25122284) has the molecular formula C16H13Cl2N3O3 and a molecular weight of 366.20 g/mol. Its IUPAC name is 2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
PubChem CID25122284
Molecular FormulaC16H13Cl2N3O3
Molecular Weight366.20 g/mol
Exact Mass365.03
IUPAC Name2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESCOc1cc(OC)c(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1Cl
InChIInChI=1S/C16H13Cl2N3O3/c1-23-10-6-11(24-2)14(18)12(13(10)17)16(22)21-9-5-8-3-4-19-15(8)20-7-9/h3-7H,1-2H3,(H,19,20)(H,21,22)
InChIKeyRYADBGCNLMHPDA-UHFFFAOYSA-N
XLogP4.14
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-[(2,4,5-trimethoxybenzoyl)amino]benzamide
CID 24811698
3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 89151606
2,6-dichloro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 56675551
5-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide
CID 174936745
2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid
CID 67007623
2-chloro-4-fluoro-5-[3-(2-methoxyphenyl)prop-2-enoylamino]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 67007164
2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 135336963
2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 70866161
4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 70931081
N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 175464575
tert-butyl 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoate
CID 68919681
3-(chloromethylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 58251997

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The IUPAC name of 2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (CID 25122284) is 2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The canonical SMILES for 2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is COc1cc(OC)c(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1Cl.
What is the InChIKey of 2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The InChIKey is RYADBGCNLMHPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3/c1-23-10-6-11(24-2)14(18)12(13(10)17)16(22)21-9-5-8-3-4-19-15(8)20-7-9/h3-7H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide has a molecular weight of 366.20 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 25122284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).