2-(3-morpholin-4-ylpropanoyl)pyridine-3-carbonitrile

C13H15N3O2 — CID 110175694

IUPAC2-(3-morpholin-4-ylpropanoyl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1C(=O)CCN1CCOCC1
InChIInChI=1S/C13H15N3O2/c14-10-11-2-1-4-15-13(11)12(17)3-5-16-6-8-18-9-7-16/h1-2,4H,3,5-9H2
InChIKeyDGICODLMPGXCJE-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.86
Rot. Bonds4

About 2-(3-morpholin-4-ylpropanoyl)pyridine-3-carbonitrile

2-(3-morpholin-4-ylpropanoyl)pyridine-3-carbonitrile (PubChem CID 110175694) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropanoyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropanoyl)pyridine-3-carbonitrile
PubChem CID110175694
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(3-morpholin-4-ylpropanoyl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1C(=O)CCN1CCOCC1
InChIInChI=1S/C13H15N3O2/c14-10-11-2-1-4-15-13(11)12(17)3-5-16-6-8-18-9-7-16/h1-2,4H,3,5-9H2
InChIKeyDGICODLMPGXCJE-UHFFFAOYSA-N
XLogP0.86
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 71690241
3-[[16-[(2-carboxy-3-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 174155383
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
CID 10198554
4-(3-cyano-2-pyridinyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboxamide
CID 78832231
2-(2-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109168019
N-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168139
1-isoquinolin-7-yl-3-morpholin-4-ylpropan-1-one
CID 71156888
2-[3-(1,4-oxazepan-4-yl)propoxy]benzonitrile
CID 62989022
N'-(2-cyanophenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944134
2-(morpholine-4-carbonyl)benzonitrile
CID 11378923
3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile
CID 22685973

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropanoyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(3-morpholin-4-ylpropanoyl)pyridine-3-carbonitrile (CID 110175694) is 2-(3-morpholin-4-ylpropanoyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-morpholin-4-ylpropanoyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3-morpholin-4-ylpropanoyl)pyridine-3-carbonitrile is N#Cc1cccnc1C(=O)CCN1CCOCC1.
What is the InChIKey of 2-(3-morpholin-4-ylpropanoyl)pyridine-3-carbonitrile?
The InChIKey is DGICODLMPGXCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-10-11-2-1-4-15-13(11)12(17)3-5-16-6-8-18-9-7-16/h1-2,4H,3,5-9H2.
What are the key properties of 2-(3-morpholin-4-ylpropanoyl)pyridine-3-carbonitrile?
2-(3-morpholin-4-ylpropanoyl)pyridine-3-carbonitrile has a molecular weight of 245.28 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropanoyl)pyridine-3-carbonitrile is sourced from PubChem (CID 110175694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).