3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-dimethylbenzamide

C22H20N6O2 — CID 57400523

IUPAC3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1
InChIInChI=1S/C22H20N6O2/c1-28(2)21(29)15-4-3-5-17(12-15)27-22(30)26-16-8-6-14(7-9-16)18-10-11-23-20-19(18)24-13-25-20/h3-13H,1-2H3,(H,23,24,25)(H2,26,27,30)
InChIKeyJDJSPHQNBFVVDK-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.97
Rot. Bonds4

About 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-dimethylbenzamide

3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-dimethylbenzamide (PubChem CID 57400523) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-dimethylbenzamide
PubChem CID57400523
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1
InChIInChI=1S/C22H20N6O2/c1-28(2)21(29)15-4-3-5-17(12-15)27-22(30)26-16-8-6-14(7-9-16)18-10-11-23-20-19(18)24-13-25-20/h3-13H,1-2H3,(H,23,24,25)(H2,26,27,30)
InChIKeyJDJSPHQNBFVVDK-UHFFFAOYSA-N
XLogP3.97
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-dimethylbenzamide (CID 57400523) is 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1.
What is the InChIKey of 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-dimethylbenzamide?
The InChIKey is JDJSPHQNBFVVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-28(2)21(29)15-4-3-5-17(12-15)27-22(30)26-16-8-6-14(7-9-16)18-10-11-23-20-19(18)24-13-25-20/h3-13H,1-2H3,(H,23,24,25)(H2,26,27,30).
What are the key properties of 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-dimethylbenzamide?
3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-dimethylbenzamide has a molecular weight of 400.44 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 57400523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).