5-(4-morpholin-4-ylanilino)pyridine-2-carbonitrile

C16H16N4O — CID 115487689

IUPAC5-(4-morpholin-4-ylanilino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2ccc(N3CCOCC3)cc2)cn1
InChIInChI=1S/C16H16N4O/c17-11-14-1-2-15(12-18-14)19-13-3-5-16(6-4-13)20-7-9-21-10-8-20/h1-6,12,19H,7-10H2
InChIKeyUVGSLJUSBPMPNE-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.53
Rot. Bonds3

About 5-(4-morpholin-4-ylanilino)pyridine-2-carbonitrile

5-(4-morpholin-4-ylanilino)pyridine-2-carbonitrile (PubChem CID 115487689) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(4-morpholin-4-ylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-morpholin-4-ylanilino)pyridine-2-carbonitrile
PubChem CID115487689
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-(4-morpholin-4-ylanilino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2ccc(N3CCOCC3)cc2)cn1
InChIInChI=1S/C16H16N4O/c17-11-14-1-2-15(12-18-14)19-13-3-5-16(6-4-13)20-7-9-21-10-8-20/h1-6,12,19H,7-10H2
InChIKeyUVGSLJUSBPMPNE-UHFFFAOYSA-N
XLogP2.53
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-morpholin-4-ylpyridine-2-carbonitrile
CID 43811106
4-morpholin-4-yl-N-phenylaniline
CID 159018746
4-chloro-6-(4-morpholin-4-ylanilino)pyrimidine-5-carbonitrile
CID 87644759
5-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyridine-2-carbonitrile
CID 97120466
5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 115490476
(4-morpholin-4-ylphenyl)hydrazine;hydrochloride
CID 69411327
5-amino-3-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carbonitrile
CID 71418634
5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile
CID 79839036
trimethyl-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]silane
CID 86259795
2-(4-morpholin-4-ylanilino)-4-pyridin-3-ylpyrimidine-5-carbonitrile
CID 18517025
4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile
CID 79838851
4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)benzonitrile
CID 11068507

Frequently Asked Questions

What is the IUPAC name of 5-(4-morpholin-4-ylanilino)pyridine-2-carbonitrile?
The IUPAC name of 5-(4-morpholin-4-ylanilino)pyridine-2-carbonitrile (CID 115487689) is 5-(4-morpholin-4-ylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(4-morpholin-4-ylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(4-morpholin-4-ylanilino)pyridine-2-carbonitrile is N#Cc1ccc(Nc2ccc(N3CCOCC3)cc2)cn1.
What is the InChIKey of 5-(4-morpholin-4-ylanilino)pyridine-2-carbonitrile?
The InChIKey is UVGSLJUSBPMPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-11-14-1-2-15(12-18-14)19-13-3-5-16(6-4-13)20-7-9-21-10-8-20/h1-6,12,19H,7-10H2.
What are the key properties of 5-(4-morpholin-4-ylanilino)pyridine-2-carbonitrile?
5-(4-morpholin-4-ylanilino)pyridine-2-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-morpholin-4-ylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 115487689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).