N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)benzamide

C16H16N4O — CID 58512347

IUPACN,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)benzamide
SMILESCN(C)C(=O)c1cccc(Nc2ccc3cc[nH]c3n2)c1
InChIInChI=1S/C16H16N4O/c1-20(2)16(21)12-4-3-5-13(10-12)18-14-7-6-11-8-9-17-15(11)19-14/h3-10H,1-2H3,(H2,17,18,19)
InChIKeyLHSKPHXOMAXBQL-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.01
Rot. Bonds3

About N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)benzamide

N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)benzamide (PubChem CID 58512347) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)benzamide
PubChem CID58512347
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)benzamide
SMILESCN(C)C(=O)c1cccc(Nc2ccc3cc[nH]c3n2)c1
InChIInChI=1S/C16H16N4O/c1-20(2)16(21)12-4-3-5-13(10-12)18-14-7-6-11-8-9-17-15(11)19-14/h3-10H,1-2H3,(H2,17,18,19)
InChIKeyLHSKPHXOMAXBQL-UHFFFAOYSA-N
XLogP3.01
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide
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N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)benzamide?
The IUPAC name of N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)benzamide (CID 58512347) is N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)benzamide.
What is the SMILES notation for N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)benzamide?
The canonical SMILES for N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)benzamide is CN(C)C(=O)c1cccc(Nc2ccc3cc[nH]c3n2)c1.
What is the InChIKey of N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)benzamide?
The InChIKey is LHSKPHXOMAXBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20(2)16(21)12-4-3-5-13(10-12)18-14-7-6-11-8-9-17-15(11)19-14/h3-10H,1-2H3,(H2,17,18,19).
What are the key properties of N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)benzamide?
N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)benzamide has a molecular weight of 280.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)benzamide is sourced from PubChem (CID 58512347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).