N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide

C23H26N6OS — CID 176504403

IUPACN-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1ccsc1CN(CCN(C)C)C(=O)c1cnc2c(c1)ncn2Cc1ccccn1
InChIInChI=1S/C23H26N6OS/c1-17-7-11-31-21(17)15-28(10-9-27(2)3)23(30)18-12-20-22(25-13-18)29(16-26-20)14-19-6-4-5-8-24-19/h4-8,11-13,16H,9-10,14-15H2,1-3H3
InChIKeyAUAHFMBNNIZGRD-UHFFFAOYSA-N
MW434.57 g/mol
LogP3.45
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide

N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176504403) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176504403
Molecular FormulaC23H26N6OS
Molecular Weight434.57 g/mol
Exact Mass434.19
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1ccsc1CN(CCN(C)C)C(=O)c1cnc2c(c1)ncn2Cc1ccccn1
InChIInChI=1S/C23H26N6OS/c1-17-7-11-31-21(17)15-28(10-9-27(2)3)23(30)18-12-20-22(25-13-18)29(16-26-20)14-19-6-4-5-8-24-19/h4-8,11-13,16H,9-10,14-15H2,1-3H3
InChIKeyAUAHFMBNNIZGRD-UHFFFAOYSA-N
XLogP3.45
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176502332
3-benzyl-N-propyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503111
N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 46994975
N-[1-(dimethylamino)propan-2-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503359
3-(pyridin-2-ylmethyl)-N-(3-pyridin-2-ylpropyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503465
(3-methoxypyrrolidin-1-yl)-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176505470
1-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1-(2-pyridin-2-ylethyl)urea
CID 42703373
N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504391
N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176501362
N-methyl-3-(2-methylpropyl)-N-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175645068
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176505417
methyl 3-ethyl-1-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidine-3-carboxylate
CID 176504456

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 176504403) is N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide is Cc1ccsc1CN(CCN(C)C)C(=O)c1cnc2c(c1)ncn2Cc1ccccn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is AUAHFMBNNIZGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-17-7-11-31-21(17)15-28(10-9-27(2)3)23(30)18-12-20-22(25-13-18)29(16-26-20)14-19-6-4-5-8-24-19/h4-8,11-13,16H,9-10,14-15H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176504403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).