N-[2-(dimethylamino)ethyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide

C23H23N5O — CID 20916098

IUPACN-[2-(dimethylamino)ethyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide
SMILESCN(C)CCNC(=O)c1ccc(-n2c(-c3ccccc3)nc3cccnc32)cc1
InChIInChI=1S/C23H23N5O/c1-27(2)16-15-25-23(29)18-10-12-19(13-11-18)28-21(17-7-4-3-5-8-17)26-20-9-6-14-24-22(20)28/h3-14H,15-16H2,1-2H3,(H,25,29)
InChIKeyLVZKNEUTOULDGK-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.38
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide

N-[2-(dimethylamino)ethyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 20916098) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide
PubChem CID20916098
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide
SMILESCN(C)CCNC(=O)c1ccc(-n2c(-c3ccccc3)nc3cccnc32)cc1
InChIInChI=1S/C23H23N5O/c1-27(2)16-15-25-23(29)18-10-12-19(13-11-18)28-21(17-7-4-3-5-8-17)26-20-9-6-14-24-22(20)28/h3-14H,15-16H2,1-2H3,(H,25,29)
InChIKeyLVZKNEUTOULDGK-UHFFFAOYSA-N
XLogP3.38
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide (CID 20916098) is N-[2-(dimethylamino)ethyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide is CN(C)CCNC(=O)c1ccc(-n2c(-c3ccccc3)nc3cccnc32)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is LVZKNEUTOULDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-27(2)16-15-25-23(29)18-10-12-19(13-11-18)28-21(17-7-4-3-5-8-17)26-20-9-6-14-24-22(20)28/h3-14H,15-16H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide?
N-[2-(dimethylamino)ethyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 385.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 20916098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).