2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile

C19H22N4O — CID 21004425

IUPAC2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)cnc1NCCCN1CCOCC1
InChIInChI=1S/C19H22N4O/c20-14-17-13-18(16-5-2-1-3-6-16)15-22-19(17)21-7-4-8-23-9-11-24-12-10-23/h1-3,5-6,13,15H,4,7-12H2,(H,21,22)
InChIKeyYVKGILXVZLVCPM-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.75
Rot. Bonds6

About 2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile

2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile (PubChem CID 21004425) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile
PubChem CID21004425
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)cnc1NCCCN1CCOCC1
InChIInChI=1S/C19H22N4O/c20-14-17-13-18(16-5-2-1-3-6-16)15-22-19(17)21-7-4-8-23-9-11-24-12-10-23/h1-3,5-6,13,15H,4,7-12H2,(H,21,22)
InChIKeyYVKGILXVZLVCPM-UHFFFAOYSA-N
XLogP2.75
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.75
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

N-(3-morpholin-4-ylpropyl)-5-phenylpyridin-2-amine
CID 141285664
3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile
CID 107056894
6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine
CID 3599041
4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 146673965
3-methyl-2-(3-morpholin-4-ylpropylamino)benzonitrile
CID 107106445
5-(3-morpholin-4-ylpropylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 664721
2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile
CID 133462640
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
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile
CID 63885427

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile (CID 21004425) is 2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile is N#Cc1cc(-c2ccccc2)cnc1NCCCN1CCOCC1.
What is the InChIKey of 2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile?
The InChIKey is YVKGILXVZLVCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c20-14-17-13-18(16-5-2-1-3-6-16)15-22-19(17)21-7-4-8-23-9-11-24-12-10-23/h1-3,5-6,13,15H,4,7-12H2,(H,21,22).
What are the key properties of 2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile?
2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile has a molecular weight of 322.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 21004425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).