N-[(5-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-N-methylformamide

C11H10N4O — CID 155737396

IUPACN-[(5-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-N-methylformamide
SMILESCN(C=O)Cc1cc2nc(C#N)ccc2[nH]1
InChIInChI=1S/C11H10N4O/c1-15(7-16)6-9-4-11-10(14-9)3-2-8(5-12)13-11/h2-4,7,14H,6H2,1H3
InChIKeyWANHIWJNNNSZHE-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.02
Rot. Bonds3

About N-[(5-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-N-methylformamide

N-[(5-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-N-methylformamide (PubChem CID 155737396) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is N-[(5-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(5-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-N-methylformamide
PubChem CID155737396
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC NameN-[(5-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-N-methylformamide
SMILESCN(C=O)Cc1cc2nc(C#N)ccc2[nH]1
InChIInChI=1S/C11H10N4O/c1-15(7-16)6-9-4-11-10(14-9)3-2-8(5-12)13-11/h2-4,7,14H,6H2,1H3
InChIKeyWANHIWJNNNSZHE-UHFFFAOYSA-N
XLogP1.02
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(5-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-N-methylformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-iodo-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
CID 123135397
N-[(3-chloro-4-cyanophenyl)methyl]-N-methylformamide
CID 145167066
3-(1H-benzimidazol-2-yl)propanenitrile;N,N-dimethylformamide
CID 174781371
3-ethyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
CID 123600772
3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl)-2,2-dimethylpropanal
CID 88991247
1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine
CID 165076117
2-formyl-1H-indole-5-carbonitrile
CID 11579193
6-[(dimethylamino)methyl]pyridine-2-carbonitrile
CID 18953890
6-(2-quinolin-2-ylethynyl)pyridine-2-carbonitrile
CID 71563215
N-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide
CID 35385409
5-formyl-6-(methylideneamino)pyridine-2-carbonitrile
CID 139520394
CID 88936778
CID 88936778

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-N-methylformamide?
The IUPAC name of N-[(5-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-N-methylformamide (CID 155737396) is N-[(5-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-N-methylformamide.
What is the SMILES notation for N-[(5-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-N-methylformamide?
The canonical SMILES for N-[(5-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-N-methylformamide is CN(C=O)Cc1cc2nc(C#N)ccc2[nH]1.
What is the InChIKey of N-[(5-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-N-methylformamide?
The InChIKey is WANHIWJNNNSZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-15(7-16)6-9-4-11-10(14-9)3-2-8(5-12)13-11/h2-4,7,14H,6H2,1H3.
What are the key properties of N-[(5-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-N-methylformamide?
N-[(5-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-N-methylformamide has a molecular weight of 214.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-N-methylformamide is sourced from PubChem (CID 155737396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).