N-[2-(dimethylamino)ethyl]-6-(2-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide

C24H25N5O2 — CID 134808118

IUPACN-[2-(dimethylamino)ethyl]-6-(2-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc2nc(-c3ccccc3)c(-c3ccccc3O)cc2n1C
InChIInChI=1S/C24H25N5O2/c1-28(2)14-13-25-24(31)23-27-22-19(29(23)3)15-18(17-11-7-8-12-20(17)30)21(26-22)16-9-5-4-6-10-16/h4-12,15,30H,13-14H2,1-3H3,(H,25,31)
InChIKeyXIDPUGYZTOBDRX-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.30
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-6-(2-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide

N-[2-(dimethylamino)ethyl]-6-(2-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 134808118) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-(2-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-(2-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide
PubChem CID134808118
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[2-(dimethylamino)ethyl]-6-(2-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc2nc(-c3ccccc3)c(-c3ccccc3O)cc2n1C
InChIInChI=1S/C24H25N5O2/c1-28(2)14-13-25-24(31)23-27-22-19(29(23)3)15-18(17-11-7-8-12-20(17)30)21(26-22)16-9-5-4-6-10-16/h4-12,15,30H,13-14H2,1-3H3,(H,25,31)
InChIKeyXIDPUGYZTOBDRX-UHFFFAOYSA-N
XLogP3.30
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-(2-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-(2-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide (CID 134808118) is N-[2-(dimethylamino)ethyl]-6-(2-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-(2-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-(2-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide is CN(C)CCNC(=O)c1nc2nc(-c3ccccc3)c(-c3ccccc3O)cc2n1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-(2-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is XIDPUGYZTOBDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-28(2)14-13-25-24(31)23-27-22-19(29(23)3)15-18(17-11-7-8-12-20(17)30)21(26-22)16-9-5-4-6-10-16/h4-12,15,30H,13-14H2,1-3H3,(H,25,31).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-(2-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-6-(2-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-(2-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 134808118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).