N,N-bis(cyanomethyl)-2-oxo-1,3-dihydroindole-6-carboxamide

C13H10N4O2 — CID 102711862

IUPACN,N-bis(cyanomethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESN#CCN(CC#N)C(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C13H10N4O2/c14-3-5-17(6-4-15)13(19)10-2-1-9-8-12(18)16-11(9)7-10/h1-2,7H,5-6,8H2,(H,16,18)
InChIKeyAQMBKTVCRFOHOZ-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.67
Rot. Bonds3

About N,N-bis(cyanomethyl)-2-oxo-1,3-dihydroindole-6-carboxamide

N,N-bis(cyanomethyl)-2-oxo-1,3-dihydroindole-6-carboxamide (PubChem CID 102711862) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)-2-oxo-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
PubChem CID102711862
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC NameN,N-bis(cyanomethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESN#CCN(CC#N)C(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C13H10N4O2/c14-3-5-17(6-4-15)13(19)10-2-1-9-8-12(18)16-11(9)7-10/h1-2,7H,5-6,8H2,(H,16,18)
InChIKeyAQMBKTVCRFOHOZ-UHFFFAOYSA-N
XLogP0.67
TPSA96.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-methylpropyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712015
N-(2-amino-2-oxoethyl)-N-ethyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 103103778
N-ethyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712066
N,N-bis(cyanomethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997742
2-[cyclopropylmethyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]acetic acid
CID 102710633
2-oxo-1,3-dihydroindole-6-carbonyl chloride
CID 141361971
N-cyclopropyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711793
N-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide
CID 102712059
N-methyl-N-(3-methylbutan-2-yl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711796
N-[(1-methylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737430
N-cyclopropyl-2-oxo-N-propyl-1,3-dihydroindole-6-carboxamide
CID 102712009
N-methyl-2-oxo-N-pentan-2-yl-1,3-dihydroindole-6-carboxamide
CID 102711803

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)-2-oxo-1,3-dihydroindole-6-carboxamide?
The IUPAC name of N,N-bis(cyanomethyl)-2-oxo-1,3-dihydroindole-6-carboxamide (CID 102711862) is N,N-bis(cyanomethyl)-2-oxo-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N,N-bis(cyanomethyl)-2-oxo-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for N,N-bis(cyanomethyl)-2-oxo-1,3-dihydroindole-6-carboxamide is N#CCN(CC#N)C(=O)c1ccc2c(c1)NC(=O)C2.
What is the InChIKey of N,N-bis(cyanomethyl)-2-oxo-1,3-dihydroindole-6-carboxamide?
The InChIKey is AQMBKTVCRFOHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-3-5-17(6-4-15)13(19)10-2-1-9-8-12(18)16-11(9)7-10/h1-2,7H,5-6,8H2,(H,16,18).
What are the key properties of N,N-bis(cyanomethyl)-2-oxo-1,3-dihydroindole-6-carboxamide?
N,N-bis(cyanomethyl)-2-oxo-1,3-dihydroindole-6-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)-2-oxo-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 102711862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).