4-(4-aminoindole-1-carbonyl)pyridine-2-carbonitrile

C15H10N4O — CID 112526297

IUPAC4-(4-aminoindole-1-carbonyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(=O)n2ccc3c(N)cccc32)ccn1
InChIInChI=1S/C15H10N4O/c16-9-11-8-10(4-6-18-11)15(20)19-7-5-12-13(17)2-1-3-14(12)19/h1-8H,17H2
InChIKeyDRUFBDKVAWCUTP-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.18
Rot. Bonds1

About 4-(4-aminoindole-1-carbonyl)pyridine-2-carbonitrile

4-(4-aminoindole-1-carbonyl)pyridine-2-carbonitrile (PubChem CID 112526297) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-(4-aminoindole-1-carbonyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-aminoindole-1-carbonyl)pyridine-2-carbonitrile
PubChem CID112526297
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name4-(4-aminoindole-1-carbonyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(=O)n2ccc3c(N)cccc32)ccn1
InChIInChI=1S/C15H10N4O/c16-9-11-8-10(4-6-18-11)15(20)19-7-5-12-13(17)2-1-3-14(12)19/h1-8H,17H2
InChIKeyDRUFBDKVAWCUTP-UHFFFAOYSA-N
XLogP2.18
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1,4-diazepane-1-carbonyl)pyridine-2-carbonitrile
CID 83894257
4-[4-(aminomethyl)-3,5-dimethylpyrazole-1-carbonyl]pyridine-2-carbonitrile
CID 112528470
4-cyanoindole-1-carboxylic acid
CID 67420400
2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide
CID 175673334
methyl 1-(2-cyanopyridine-4-carbonyl)piperidine-4-carboxylate
CID 112531668
2-cyano-N-propan-2-ylpyridine-4-carboxamide
CID 112520008
4-(4-aminoindole-1-carbonyl)-3-benzyl-1H-imidazol-2-one
CID 112526275
4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile
CID 114524411
(2-cyano-4-pyridinyl)methyl 3-aminobenzoate
CID 63880643
2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
CID 115115877
(2-cyano-4-pyridinyl)methyl 2-amino-6-methoxybenzoate
CID 81395074
2,2-dimethylpropanoyl 2-cyanopyridine-4-carboxylate
CID 163217228

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminoindole-1-carbonyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(4-aminoindole-1-carbonyl)pyridine-2-carbonitrile (CID 112526297) is 4-(4-aminoindole-1-carbonyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-aminoindole-1-carbonyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-aminoindole-1-carbonyl)pyridine-2-carbonitrile is N#Cc1cc(C(=O)n2ccc3c(N)cccc32)ccn1.
What is the InChIKey of 4-(4-aminoindole-1-carbonyl)pyridine-2-carbonitrile?
The InChIKey is DRUFBDKVAWCUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c16-9-11-8-10(4-6-18-11)15(20)19-7-5-12-13(17)2-1-3-14(12)19/h1-8H,17H2.
What are the key properties of 4-(4-aminoindole-1-carbonyl)pyridine-2-carbonitrile?
4-(4-aminoindole-1-carbonyl)pyridine-2-carbonitrile has a molecular weight of 262.27 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminoindole-1-carbonyl)pyridine-2-carbonitrile is sourced from PubChem (CID 112526297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).