N-[(Z)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)ethenyl]formamide

C12H13N3O — CID 142114011

IUPACN-[(Z)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)ethenyl]formamide
SMILESCc1c(/C=C\NC=O)n(C)c2ncccc12
InChIInChI=1S/C12H13N3O/c1-9-10-4-3-6-14-12(10)15(2)11(9)5-7-13-8-16/h3-8H,1-2H3,(H,13,16)/b7-5-
InChIKeyKFHFYYZEBVWIQU-ALCCZGGFSA-N
MW215.26 g/mol
LogP1.60
Rot. Bonds3

About N-[(Z)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)ethenyl]formamide

N-[(Z)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)ethenyl]formamide (PubChem CID 142114011) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[(Z)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)ethenyl]formamide.

Molecular Properties

Compound NameN-[(Z)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)ethenyl]formamide
PubChem CID142114011
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[(Z)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)ethenyl]formamide
SMILESCc1c(/C=C\NC=O)n(C)c2ncccc12
InChIInChI=1S/C12H13N3O/c1-9-10-4-3-6-14-12(10)15(2)11(9)5-7-13-8-16/h3-8H,1-2H3,(H,13,16)/b7-5-
InChIKeyKFHFYYZEBVWIQU-ALCCZGGFSA-N
XLogP1.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-methylpyrido[2,3-b]indole
CID 12596580
N-[(Z)-2-thieno[2,3-b]pyridin-3-ylethenyl]formamide
CID 139624315
4-hydroxy-1,3-dimethyl-1,8-naphthyridin-2-one
CID 54702806
N-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine
CID 107235688
2-[(3E)-hexa-1,3,5-trien-3-yl]-1,3-dimethylpyrrolo[2,3-b]pyridine
CID 143631634
1,2-dimethylpyrrolo[2,3-b]pyridin-3-amine
CID 82415409
1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 84670724
ethane;2-[(3E)-hexa-1,3,5-trien-3-yl]-1,3-dimethylpyrrolo[2,3-b]pyridine
CID 143631633
5,7,9-trimethylpyrido[2,3-b]indole
CID 20672284
ethane;9-methylpyrido[2,3-b]indole;propane
CID 171072564
2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde
CID 164915849
2,5-dimethyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one
CID 132576053

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)ethenyl]formamide?
The IUPAC name of N-[(Z)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)ethenyl]formamide (CID 142114011) is N-[(Z)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)ethenyl]formamide.
What is the SMILES notation for N-[(Z)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)ethenyl]formamide?
The canonical SMILES for N-[(Z)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)ethenyl]formamide is Cc1c(/C=C\NC=O)n(C)c2ncccc12.
What is the InChIKey of N-[(Z)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)ethenyl]formamide?
The InChIKey is KFHFYYZEBVWIQU-ALCCZGGFSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-10-4-3-6-14-12(10)15(2)11(9)5-7-13-8-16/h3-8H,1-2H3,(H,13,16)/b7-5-.
What are the key properties of N-[(Z)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)ethenyl]formamide?
N-[(Z)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)ethenyl]formamide has a molecular weight of 215.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)ethenyl]formamide is sourced from PubChem (CID 142114011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).