3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile

C13H17ClN4O — CID 107056894

IUPAC3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCCN2CCOCC2)c1Cl
InChIInChI=1S/C13H17ClN4O/c14-12-11(10-15)2-4-17-13(12)16-3-1-5-18-6-8-19-9-7-18/h2,4H,1,3,5-9H2,(H,16,17)
InChIKeyTXGLQGJRZQSFAM-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.74
Rot. Bonds5

About 3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile

3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile (PubChem CID 107056894) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile
PubChem CID107056894
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCCN2CCOCC2)c1Cl
InChIInChI=1S/C13H17ClN4O/c14-12-11(10-15)2-4-17-13(12)16-3-1-5-18-6-8-19-9-7-18/h2,4H,1,3,5-9H2,(H,16,17)
InChIKeyTXGLQGJRZQSFAM-UHFFFAOYSA-N
XLogP1.74
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid
CID 107061850
2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
CID 36662494
2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile
CID 21004425
3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
CID 113228910
4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 146673965
N-(3-morpholin-4-ylpropyl)thieno[3,2-c]pyridin-4-amine
CID 43522796
3-methyl-2-(3-morpholin-4-ylpropylamino)benzonitrile
CID 107106445
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile
CID 104716278
2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile
CID 115499071
5-methyl-2-(3-morpholin-4-ylpropylamino)benzonitrile
CID 107927013
3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine
CID 81035323

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile (CID 107056894) is 3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile is N#Cc1ccnc(NCCCN2CCOCC2)c1Cl.
What is the InChIKey of 3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile?
The InChIKey is TXGLQGJRZQSFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c14-12-11(10-15)2-4-17-13(12)16-3-1-5-18-6-8-19-9-7-18/h2,4H,1,3,5-9H2,(H,16,17).
What are the key properties of 3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile?
3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile has a molecular weight of 280.76 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 107056894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).