N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-5-(1-methylpyrazol-4-yl)-1H-indole-2-carboxamide

C19H20N6O — CID 122590742

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-5-(1-methylpyrazol-4-yl)-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2cc(-c3cnn(C)c3)ccc2[nH]1)[C@@H]1CCN(C#N)C1
InChIInChI=1S/C19H20N6O/c1-23-10-15(9-21-23)13-3-4-17-14(7-13)8-18(22-17)19(26)24(2)16-5-6-25(11-16)12-20/h3-4,7-10,16,22H,5-6,11H2,1-2H3/t16-/m1/s1
InChIKeyYQPLODSYXHIDPE-MRXNPFEDSA-N
MW348.41 g/mol
LogP2.20
Rot. Bonds3

About N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-5-(1-methylpyrazol-4-yl)-1H-indole-2-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-5-(1-methylpyrazol-4-yl)-1H-indole-2-carboxamide (PubChem CID 122590742) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-5-(1-methylpyrazol-4-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-5-(1-methylpyrazol-4-yl)-1H-indole-2-carboxamide
PubChem CID122590742
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-5-(1-methylpyrazol-4-yl)-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2cc(-c3cnn(C)c3)ccc2[nH]1)[C@@H]1CCN(C#N)C1
InChIInChI=1S/C19H20N6O/c1-23-10-15(9-21-23)13-3-4-17-14(7-13)8-18(22-17)19(26)24(2)16-5-6-25(11-16)12-20/h3-4,7-10,16,22H,5-6,11H2,1-2H3/t16-/m1/s1
InChIKeyYQPLODSYXHIDPE-MRXNPFEDSA-N
XLogP2.20
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
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]-N-methyl-5-(1-methylpyrazol-4-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-5-(1-methylpyrazol-4-yl)-1H-indole-2-carboxamide (CID 122590742) is N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-5-(1-methylpyrazol-4-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-5-(1-methylpyrazol-4-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-5-(1-methylpyrazol-4-yl)-1H-indole-2-carboxamide is CN(C(=O)c1cc2cc(-c3cnn(C)c3)ccc2[nH]1)[C@@H]1CCN(C#N)C1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-5-(1-methylpyrazol-4-yl)-1H-indole-2-carboxamide?
The InChIKey is YQPLODSYXHIDPE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N6O/c1-23-10-15(9-21-23)13-3-4-17-14(7-13)8-18(22-17)19(26)24(2)16-5-6-25(11-16)12-20/h3-4,7-10,16,22H,5-6,11H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-5-(1-methylpyrazol-4-yl)-1H-indole-2-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-5-(1-methylpyrazol-4-yl)-1H-indole-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-5-(1-methylpyrazol-4-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 122590742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).