N-(2-azabicyclo[5.1.0]octan-8-yl)-3-cyano-1H-indole-2-carboxamide

C17H18N4O — CID 167750714

IUPACN-(2-azabicyclo[5.1.0]octan-8-yl)-3-cyano-1H-indole-2-carboxamide
SMILESN#Cc1c(C(=O)NC2C3CCCCNC32)[nH]c2ccccc12
InChIInChI=1S/C17H18N4O/c18-9-12-10-5-1-2-7-13(10)20-16(12)17(22)21-15-11-6-3-4-8-19-14(11)15/h1-2,5,7,11,14-15,19-20H,3-4,6,8H2,(H,21,22)
InChIKeyQFUIMHNWEKRDQG-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.91
Rot. Bonds2

About N-(2-azabicyclo[5.1.0]octan-8-yl)-3-cyano-1H-indole-2-carboxamide

N-(2-azabicyclo[5.1.0]octan-8-yl)-3-cyano-1H-indole-2-carboxamide (PubChem CID 167750714) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(2-azabicyclo[5.1.0]octan-8-yl)-3-cyano-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[5.1.0]octan-8-yl)-3-cyano-1H-indole-2-carboxamide
PubChem CID167750714
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-(2-azabicyclo[5.1.0]octan-8-yl)-3-cyano-1H-indole-2-carboxamide
SMILESN#Cc1c(C(=O)NC2C3CCCCNC32)[nH]c2ccccc12
InChIInChI=1S/C17H18N4O/c18-9-12-10-5-1-2-7-13(10)20-16(12)17(22)21-15-11-6-3-4-8-19-14(11)15/h1-2,5,7,11,14-15,19-20H,3-4,6,8H2,(H,21,22)
InChIKeyQFUIMHNWEKRDQG-UHFFFAOYSA-N
XLogP1.91
TPSA80.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2-azabicyclo[5.1.0]octan-8-yl)-3-cyano-1H-indole-2-carboxamide with MolForge

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Related Compounds

2-acetyl-1H-indole-3-carbonitrile
CID 10352353
N-cyclohexyl-3-nitro-1H-indole-2-carboxamide
CID 10541273
N-cyclopropyl-3-methoxy-1H-indole-2-carboxamide
CID 166192754
2-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]-1H-indole-3-carbonitrile
CID 95787524
2-formyl-1H-indole-3-carbonitrile
CID 59277563
2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
CID 84581853
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-indole-3-carbonitrile
CID 10497907
N-(2-methylpiperidin-3-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 114695048
2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid
CID 20529231
(3S)-N-[(1S,2S)-2-[[(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]cyclohexyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 122203819
N-cyclooctyl-3-[phenyl-[4-(2-pyrrolidin-2-ylethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 67594225
N-cyclopentyl-2-oxo-1H-quinazoline-4-carboxamide
CID 110702489

Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[5.1.0]octan-8-yl)-3-cyano-1H-indole-2-carboxamide?
The IUPAC name of N-(2-azabicyclo[5.1.0]octan-8-yl)-3-cyano-1H-indole-2-carboxamide (CID 167750714) is N-(2-azabicyclo[5.1.0]octan-8-yl)-3-cyano-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[5.1.0]octan-8-yl)-3-cyano-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-azabicyclo[5.1.0]octan-8-yl)-3-cyano-1H-indole-2-carboxamide is N#Cc1c(C(=O)NC2C3CCCCNC32)[nH]c2ccccc12.
What is the InChIKey of N-(2-azabicyclo[5.1.0]octan-8-yl)-3-cyano-1H-indole-2-carboxamide?
The InChIKey is QFUIMHNWEKRDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c18-9-12-10-5-1-2-7-13(10)20-16(12)17(22)21-15-11-6-3-4-8-19-14(11)15/h1-2,5,7,11,14-15,19-20H,3-4,6,8H2,(H,21,22).
What are the key properties of N-(2-azabicyclo[5.1.0]octan-8-yl)-3-cyano-1H-indole-2-carboxamide?
N-(2-azabicyclo[5.1.0]octan-8-yl)-3-cyano-1H-indole-2-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[5.1.0]octan-8-yl)-3-cyano-1H-indole-2-carboxamide is sourced from PubChem (CID 167750714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).