N-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide

C10H9N5O — CID 138042785

IUPACN-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1cnc2cc(C(=O)NCC#N)cnc21
InChIInChI=1S/C10H9N5O/c1-15-6-14-8-4-7(5-13-9(8)15)10(16)12-3-2-11/h4-6H,3H2,1H3,(H,12,16)
InChIKeyIVIDEEQMQMOUOG-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.22
Rot. Bonds2

About N-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide

N-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 138042785) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is N-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID138042785
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC NameN-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1cnc2cc(C(=O)NCC#N)cnc21
InChIInChI=1S/C10H9N5O/c1-15-6-14-8-4-7(5-13-9(8)15)10(16)12-3-2-11/h4-6H,3H2,1H3,(H,12,16)
InChIKeyIVIDEEQMQMOUOG-UHFFFAOYSA-N
XLogP0.22
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 110013000
N-methoxy-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide
CID 46737966
3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176503834
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 97342015
3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501294
5,6-dibromo-N-(cyanomethyl)pyridine-3-carboxamide
CID 130626014
N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 75499936
N-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 110013002
3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 75499926
N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 75524263
3-methyl-N-[3-(methylsulfanylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 75473310
N-butyl-N-(2-hydroxyethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 110015222

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide (CID 138042785) is N-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide is Cn1cnc2cc(C(=O)NCC#N)cnc21.
What is the InChIKey of N-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is IVIDEEQMQMOUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c1-15-6-14-8-4-7(5-13-9(8)15)10(16)12-3-2-11/h4-6H,3H2,1H3,(H,12,16).
What are the key properties of N-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
N-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 215.22 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 138042785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).