3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-6-carbonitrile;hydrochloride

C19H19ClN4O2 — CID 10474343

IUPAC3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-6-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccc2c(c1)NC(=O)C2c1ccc(CN2CCOCC2)cn1
InChIInChI=1S/C19H18N4O2.ClH/c20-10-13-1-3-15-17(9-13)22-19(24)18(15)16-4-2-14(11-21-16)12-23-5-7-25-8-6-23;/h1-4,9,11,18H,5-8,12H2,(H,22,24);1H
InChIKeyGSYDUMDZTXXMIK-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.29
Rot. Bonds3

About 3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-6-carbonitrile;hydrochloride

3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-6-carbonitrile;hydrochloride (PubChem CID 10474343) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-6-carbonitrile;hydrochloride.

Molecular Properties

Compound Name3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-6-carbonitrile;hydrochloride
PubChem CID10474343
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-6-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccc2c(c1)NC(=O)C2c1ccc(CN2CCOCC2)cn1
InChIInChI=1S/C19H18N4O2.ClH/c20-10-13-1-3-15-17(9-13)22-19(24)18(15)16-4-2-14(11-21-16)12-23-5-7-25-8-6-23;/h1-4,9,11,18H,5-8,12H2,(H,22,24);1H
InChIKeyGSYDUMDZTXXMIK-UHFFFAOYSA-N
XLogP2.29
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-6-carbonitrile;hydrochloride?
The IUPAC name of 3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-6-carbonitrile;hydrochloride (CID 10474343) is 3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-6-carbonitrile;hydrochloride.
What is the SMILES notation for 3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-6-carbonitrile;hydrochloride?
The canonical SMILES for 3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-6-carbonitrile;hydrochloride is Cl.N#Cc1ccc2c(c1)NC(=O)C2c1ccc(CN2CCOCC2)cn1.
What is the InChIKey of 3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-6-carbonitrile;hydrochloride?
The InChIKey is GSYDUMDZTXXMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2.ClH/c20-10-13-1-3-15-17(9-13)22-19(24)18(15)16-4-2-14(11-21-16)12-23-5-7-25-8-6-23;/h1-4,9,11,18H,5-8,12H2,(H,22,24);1H.
What are the key properties of 3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-6-carbonitrile;hydrochloride?
3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-6-carbonitrile;hydrochloride has a molecular weight of 370.84 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-6-carbonitrile;hydrochloride is sourced from PubChem (CID 10474343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).