N-[[1-(2-cyanoethyl)indol-3-yl]methylideneamino]pyrazine-2-carboxamide

C17H14N6O — CID 2324051

IUPACN-[[1-(2-cyanoethyl)indol-3-yl]methylideneamino]pyrazine-2-carboxamide
SMILESN#CCCn1cc(C=NNC(=O)c2cnccn2)c2ccccc21
InChIInChI=1S/C17H14N6O/c18-6-3-9-23-12-13(14-4-1-2-5-16(14)23)10-21-22-17(24)15-11-19-7-8-20-15/h1-2,4-5,7-8,10-12H,3,9H2,(H,22,24)
InChIKeyRSNDPTCXLCIBHT-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.11
Rot. Bonds5

About N-[[1-(2-cyanoethyl)indol-3-yl]methylideneamino]pyrazine-2-carboxamide

N-[[1-(2-cyanoethyl)indol-3-yl]methylideneamino]pyrazine-2-carboxamide (PubChem CID 2324051) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[[1-(2-cyanoethyl)indol-3-yl]methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-cyanoethyl)indol-3-yl]methylideneamino]pyrazine-2-carboxamide
PubChem CID2324051
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC NameN-[[1-(2-cyanoethyl)indol-3-yl]methylideneamino]pyrazine-2-carboxamide
SMILESN#CCCn1cc(C=NNC(=O)c2cnccn2)c2ccccc21
InChIInChI=1S/C17H14N6O/c18-6-3-9-23-12-13(14-4-1-2-5-16(14)23)10-21-22-17(24)15-11-19-7-8-20-15/h1-2,4-5,7-8,10-12H,3,9H2,(H,22,24)
InChIKeyRSNDPTCXLCIBHT-UHFFFAOYSA-N
XLogP2.11
TPSA95.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyanoethyl)indol-3-yl]methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[[1-(2-cyanoethyl)indol-3-yl]methylideneamino]pyrazine-2-carboxamide (CID 2324051) is N-[[1-(2-cyanoethyl)indol-3-yl]methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[1-(2-cyanoethyl)indol-3-yl]methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[[1-(2-cyanoethyl)indol-3-yl]methylideneamino]pyrazine-2-carboxamide is N#CCCn1cc(C=NNC(=O)c2cnccn2)c2ccccc21.
What is the InChIKey of N-[[1-(2-cyanoethyl)indol-3-yl]methylideneamino]pyrazine-2-carboxamide?
The InChIKey is RSNDPTCXLCIBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c18-6-3-9-23-12-13(14-4-1-2-5-16(14)23)10-21-22-17(24)15-11-19-7-8-20-15/h1-2,4-5,7-8,10-12H,3,9H2,(H,22,24).
What are the key properties of N-[[1-(2-cyanoethyl)indol-3-yl]methylideneamino]pyrazine-2-carboxamide?
N-[[1-(2-cyanoethyl)indol-3-yl]methylideneamino]pyrazine-2-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyanoethyl)indol-3-yl]methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 2324051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).