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

C18H20ClN5O — CID 134811189

IUPAC6-chloro-N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc2nc(-c3ccccc3)c(Cl)cc2n1C
InChIInChI=1S/C18H20ClN5O/c1-23(2)10-9-20-18(25)17-22-16-14(24(17)3)11-13(19)15(21-16)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,20,25)
InChIKeyBFXQYZHYVDYRIV-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.58
Rot. Bonds5

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

6-chloro-N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 134811189) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 6-chloro-N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide
PubChem CID134811189
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name6-chloro-N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc2nc(-c3ccccc3)c(Cl)cc2n1C
InChIInChI=1S/C18H20ClN5O/c1-23(2)10-9-20-18(25)17-22-16-14(24(17)3)11-13(19)15(21-16)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,20,25)
InChIKeyBFXQYZHYVDYRIV-UHFFFAOYSA-N
XLogP2.58
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide (CID 134811189) is 6-chloro-N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide is CN(C)CCNC(=O)c1nc2nc(-c3ccccc3)c(Cl)cc2n1C.
What is the InChIKey of 6-chloro-N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is BFXQYZHYVDYRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-23(2)10-9-20-18(25)17-22-16-14(24(17)3)11-13(19)15(21-16)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,20,25).
What are the key properties of 6-chloro-N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide?
6-chloro-N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 357.85 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 134811189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).