(3R)-3-(naphthalen-1-ylamino)-2-oxo-1H-indole-3-carbonitrile

C19H13N3O — CID 916242

IUPAC(3R)-3-(naphthalen-1-ylamino)-2-oxo-1H-indole-3-carbonitrile
SMILESN#C[C@@]1(Nc2cccc3ccccc23)C(=O)Nc2ccccc21
InChIInChI=1S/C19H13N3O/c20-12-19(15-9-3-4-10-17(15)21-18(19)23)22-16-11-5-7-13-6-1-2-8-14(13)16/h1-11,22H,(H,21,23)/t19-/m0/s1
InChIKeyYVHJNTZJMDFLCN-IBGZPJMESA-N
MW299.33 g/mol
LogP3.62
Rot. Bonds2

About (3R)-3-(naphthalen-1-ylamino)-2-oxo-1H-indole-3-carbonitrile

(3R)-3-(naphthalen-1-ylamino)-2-oxo-1H-indole-3-carbonitrile (PubChem CID 916242) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is (3R)-3-(naphthalen-1-ylamino)-2-oxo-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name(3R)-3-(naphthalen-1-ylamino)-2-oxo-1H-indole-3-carbonitrile
PubChem CID916242
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name(3R)-3-(naphthalen-1-ylamino)-2-oxo-1H-indole-3-carbonitrile
SMILESN#C[C@@]1(Nc2cccc3ccccc23)C(=O)Nc2ccccc21
InChIInChI=1S/C19H13N3O/c20-12-19(15-9-3-4-10-17(15)21-18(19)23)22-16-11-5-7-13-6-1-2-8-14(13)16/h1-11,22H,(H,21,23)/t19-/m0/s1
InChIKeyYVHJNTZJMDFLCN-IBGZPJMESA-N
XLogP3.62
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(naphthalen-1-ylamino)-2-oxo-1H-indole-3-carbonitrile?
The IUPAC name of (3R)-3-(naphthalen-1-ylamino)-2-oxo-1H-indole-3-carbonitrile (CID 916242) is (3R)-3-(naphthalen-1-ylamino)-2-oxo-1H-indole-3-carbonitrile.
What is the SMILES notation for (3R)-3-(naphthalen-1-ylamino)-2-oxo-1H-indole-3-carbonitrile?
The canonical SMILES for (3R)-3-(naphthalen-1-ylamino)-2-oxo-1H-indole-3-carbonitrile is N#C[C@@]1(Nc2cccc3ccccc23)C(=O)Nc2ccccc21.
What is the InChIKey of (3R)-3-(naphthalen-1-ylamino)-2-oxo-1H-indole-3-carbonitrile?
The InChIKey is YVHJNTZJMDFLCN-IBGZPJMESA-N. The full InChI is InChI=1S/C19H13N3O/c20-12-19(15-9-3-4-10-17(15)21-18(19)23)22-16-11-5-7-13-6-1-2-8-14(13)16/h1-11,22H,(H,21,23)/t19-/m0/s1.
What are the key properties of (3R)-3-(naphthalen-1-ylamino)-2-oxo-1H-indole-3-carbonitrile?
(3R)-3-(naphthalen-1-ylamino)-2-oxo-1H-indole-3-carbonitrile has a molecular weight of 299.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(naphthalen-1-ylamino)-2-oxo-1H-indole-3-carbonitrile is sourced from PubChem (CID 916242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).