N-[2-(dimethylamino)-2-oxoethyl]-7H-imidazo[4,5-b]pyridine-6-carboxamide

C11H13N5O2 — CID 158549381

IUPACN-[2-(dimethylamino)-2-oxoethyl]-7H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCN(C)C(=O)CNC(=O)C1=CN=C2N=CN=C2C1
InChIInChI=1S/C11H13N5O2/c1-16(2)9(17)5-13-11(18)7-3-8-10(12-4-7)15-6-14-8/h4,6H,3,5H2,1-2H3,(H,13,18)
InChIKeyHPNHJXXZVREZLC-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.64
Rot. Bonds3

About N-[2-(dimethylamino)-2-oxoethyl]-7H-imidazo[4,5-b]pyridine-6-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-7H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 158549381) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-7H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-7H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID158549381
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-7H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCN(C)C(=O)CNC(=O)C1=CN=C2N=CN=C2C1
InChIInChI=1S/C11H13N5O2/c1-16(2)9(17)5-13-11(18)7-3-8-10(12-4-7)15-6-14-8/h4,6H,3,5H2,1-2H3,(H,13,18)
InChIKeyHPNHJXXZVREZLC-UHFFFAOYSA-N
XLogP-0.64
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-7H-imidazo[4,5-b]pyridine-6-carboxamide
CID 150267600
N-(2-methoxyethyl)-7H-imidazo[4,5-b]pyridine-6-carboxamide
CID 157738004

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-7H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-7H-imidazo[4,5-b]pyridine-6-carboxamide (CID 158549381) is N-[2-(dimethylamino)-2-oxoethyl]-7H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-7H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-7H-imidazo[4,5-b]pyridine-6-carboxamide is CN(C)C(=O)CNC(=O)C1=CN=C2N=CN=C2C1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-7H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is HPNHJXXZVREZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-16(2)9(17)5-13-11(18)7-3-8-10(12-4-7)15-6-14-8/h4,6H,3,5H2,1-2H3,(H,13,18).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-7H-imidazo[4,5-b]pyridine-6-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-7H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 247.26 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-7H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 158549381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).