N-[2-(dimethylamino)ethyl]-1-methyl-5-phenyl-6-pyridin-3-ylimidazo[4,5-b]pyridine-2-carboxamide

C23H24N6O — CID 134805021

IUPACN-[2-(dimethylamino)ethyl]-1-methyl-5-phenyl-6-pyridin-3-ylimidazo[4,5-b]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc2nc(-c3ccccc3)c(-c3cccnc3)cc2n1C
InChIInChI=1S/C23H24N6O/c1-28(2)13-12-25-23(30)22-27-21-19(29(22)3)14-18(17-10-7-11-24-15-17)20(26-21)16-8-5-4-6-9-16/h4-11,14-15H,12-13H2,1-3H3,(H,25,30)
InChIKeyAXEPATJQAYENGD-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.99
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-1-methyl-5-phenyl-6-pyridin-3-ylimidazo[4,5-b]pyridine-2-carboxamide

N-[2-(dimethylamino)ethyl]-1-methyl-5-phenyl-6-pyridin-3-ylimidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 134805021) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-methyl-5-phenyl-6-pyridin-3-ylimidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-methyl-5-phenyl-6-pyridin-3-ylimidazo[4,5-b]pyridine-2-carboxamide
PubChem CID134805021
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC NameN-[2-(dimethylamino)ethyl]-1-methyl-5-phenyl-6-pyridin-3-ylimidazo[4,5-b]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc2nc(-c3ccccc3)c(-c3cccnc3)cc2n1C
InChIInChI=1S/C23H24N6O/c1-28(2)13-12-25-23(30)22-27-21-19(29(22)3)14-18(17-10-7-11-24-15-17)20(26-21)16-8-5-4-6-9-16/h4-11,14-15H,12-13H2,1-3H3,(H,25,30)
InChIKeyAXEPATJQAYENGD-UHFFFAOYSA-N
XLogP2.99
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-6-(2-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide
CID 134808118
N-[2-(dimethylamino)ethyl]-3-phenylpyridine-4-carboxamide
CID 91804668
N-[2-(dimethylamino)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
CID 20913631
2-N-[2-(dimethylamino)ethyl]-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096293
N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336121
1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid
CID 174835202
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
CID 10690459
N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105
2-amino-N-[2-(dimethylamino)ethyl]-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 11359791
N-[2-(dimethylamino)ethyl]-5-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 166154842
N-[2-(dimethylamino)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 24716905

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-methyl-5-phenyl-6-pyridin-3-ylimidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-methyl-5-phenyl-6-pyridin-3-ylimidazo[4,5-b]pyridine-2-carboxamide (CID 134805021) is N-[2-(dimethylamino)ethyl]-1-methyl-5-phenyl-6-pyridin-3-ylimidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-methyl-5-phenyl-6-pyridin-3-ylimidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-methyl-5-phenyl-6-pyridin-3-ylimidazo[4,5-b]pyridine-2-carboxamide is CN(C)CCNC(=O)c1nc2nc(-c3ccccc3)c(-c3cccnc3)cc2n1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-methyl-5-phenyl-6-pyridin-3-ylimidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is AXEPATJQAYENGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-28(2)13-12-25-23(30)22-27-21-19(29(22)3)14-18(17-10-7-11-24-15-17)20(26-21)16-8-5-4-6-9-16/h4-11,14-15H,12-13H2,1-3H3,(H,25,30).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-methyl-5-phenyl-6-pyridin-3-ylimidazo[4,5-b]pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-1-methyl-5-phenyl-6-pyridin-3-ylimidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-methyl-5-phenyl-6-pyridin-3-ylimidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 134805021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).