N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indole-2-carboxamide

C19H19N5O2 — CID 122590913

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indole-2-carboxamide
SMILESCc1noc(C)c1-c1ccc2cc(C(=O)N[C@@H]3CCN(C#N)C3)[nH]c2c1
InChIInChI=1S/C19H19N5O2/c1-11-18(12(2)26-23-11)14-4-3-13-7-17(22-16(13)8-14)19(25)21-15-5-6-24(9-15)10-20/h3-4,7-8,15,22H,5-6,9H2,1-2H3,(H,21,25)/t15-/m1/s1
InChIKeyMHCOCLDOIJPCJP-OAHLLOKOSA-N
MW349.39 g/mol
LogP2.72
Rot. Bonds3

About N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indole-2-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indole-2-carboxamide (PubChem CID 122590913) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indole-2-carboxamide
PubChem CID122590913
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indole-2-carboxamide
SMILESCc1noc(C)c1-c1ccc2cc(C(=O)N[C@@H]3CCN(C#N)C3)[nH]c2c1
InChIInChI=1S/C19H19N5O2/c1-11-18(12(2)26-23-11)14-4-3-13-7-17(22-16(13)8-14)19(25)21-15-5-6-24(9-15)10-20/h3-4,7-8,15,22H,5-6,9H2,1-2H3,(H,21,25)/t15-/m1/s1
InChIKeyMHCOCLDOIJPCJP-OAHLLOKOSA-N
XLogP2.72
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indole-2-carboxamide (CID 122590913) is N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indole-2-carboxamide is Cc1noc(C)c1-c1ccc2cc(C(=O)N[C@@H]3CCN(C#N)C3)[nH]c2c1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indole-2-carboxamide?
The InChIKey is MHCOCLDOIJPCJP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-11-18(12(2)26-23-11)14-4-3-13-7-17(22-16(13)8-14)19(25)21-15-5-6-24(9-15)10-20/h3-4,7-8,15,22H,5-6,9H2,1-2H3,(H,21,25)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indole-2-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indole-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 122590913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).