N-[(3-cyanophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide

C17H15N3O — CID 76887453

IUPACN-[(3-cyanophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESN#Cc1cccc(CNC(=O)C2Cc3ccccc3N2)c1
InChIInChI=1S/C17H15N3O/c18-10-12-4-3-5-13(8-12)11-19-17(21)16-9-14-6-1-2-7-15(14)20-16/h1-8,16,20H,9,11H2,(H,19,21)
InChIKeyJTIKCOKAEYVANA-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.21
Rot. Bonds3

About N-[(3-cyanophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide

N-[(3-cyanophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76887453) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76887453
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-[(3-cyanophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESN#Cc1cccc(CNC(=O)C2Cc3ccccc3N2)c1
InChIInChI=1S/C17H15N3O/c18-10-12-4-3-5-13(8-12)11-19-17(21)16-9-14-6-1-2-7-15(14)20-16/h1-8,16,20H,9,11H2,(H,19,21)
InChIKeyJTIKCOKAEYVANA-UHFFFAOYSA-N
XLogP2.21
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 64891483
(2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61148810
N-[(4-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76892488
(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61155551
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592
(2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148170
(2S)-N-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61402453
(2S)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147921
(2S)-N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61179485
(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 82873992
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76923479
N-[(3-cyanophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79352004

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 76887453) is N-[(3-cyanophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is N#Cc1cccc(CNC(=O)C2Cc3ccccc3N2)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is JTIKCOKAEYVANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-10-12-4-3-5-13(8-12)11-19-17(21)16-9-14-6-1-2-7-15(14)20-16/h1-8,16,20H,9,11H2,(H,19,21).
What are the key properties of N-[(3-cyanophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
N-[(3-cyanophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76887453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).