2-[[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile

C18H19ClN4O — CID 32801766

IUPAC2-[[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC[C@@H](c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C18H19ClN4O/c19-16-6-2-1-5-15(16)17(23-8-10-24-11-9-23)13-22-18-14(12-20)4-3-7-21-18/h1-7,17H,8-11,13H2,(H,21,22)/t17-/m0/s1
InChIKeyDAXHGAPWPXINOE-KRWDZBQOSA-N
MW342.83 g/mol
LogP3.09
Rot. Bonds5

About 2-[[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile

2-[[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile (PubChem CID 32801766) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-[[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile
PubChem CID32801766
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name2-[[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC[C@@H](c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C18H19ClN4O/c19-16-6-2-1-5-15(16)17(23-8-10-24-11-9-23)13-22-18-14(12-20)4-3-7-21-18/h1-7,17H,8-11,13H2,(H,21,22)/t17-/m0/s1
InChIKeyDAXHGAPWPXINOE-KRWDZBQOSA-N
XLogP3.09
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile (CID 32801766) is 2-[[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile is N#Cc1cccnc1NC[C@@H](c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of 2-[[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile?
The InChIKey is DAXHGAPWPXINOE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-16-6-2-1-5-15(16)17(23-8-10-24-11-9-23)13-22-18-14(12-20)4-3-7-21-18/h1-7,17H,8-11,13H2,(H,21,22)/t17-/m0/s1.
What are the key properties of 2-[[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile?
2-[[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile has a molecular weight of 342.83 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 32801766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).