6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile

C17H18N4O — CID 56821492

IUPAC6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCc2ccccc2N2CCOCC2)nc1
InChIInChI=1S/C17H18N4O/c18-11-14-5-6-17(19-12-14)20-13-15-3-1-2-4-16(15)21-7-9-22-10-8-21/h1-6,12H,7-10,13H2,(H,19,20)
InChIKeyNTXBXCGDMFFGQY-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.40
Rot. Bonds4

About 6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile

6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile (PubChem CID 56821492) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile
PubChem CID56821492
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCc2ccccc2N2CCOCC2)nc1
InChIInChI=1S/C17H18N4O/c18-11-14-5-6-17(19-12-14)20-13-15-3-1-2-4-16(15)21-7-9-22-10-8-21/h1-6,12H,7-10,13H2,(H,19,20)
InChIKeyNTXBXCGDMFFGQY-UHFFFAOYSA-N
XLogP2.40
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile
CID 133385160
2-[2-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]acetic acid
CID 81318485
5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile
CID 56821491
2-chloro-4-[(2-morpholin-4-ylphenyl)methylamino]benzonitrile
CID 133299332
N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine
CID 133409906
2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 30041228
5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile
CID 133360375
5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine
CID 133439624
1-[4-[2-[[(5-methyl-2-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone
CID 75384454
6-(4-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 109164747
6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112859666
4-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methylamino]benzonitrile
CID 75471135

Frequently Asked Questions

What is the IUPAC name of 6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile (CID 56821492) is 6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCc2ccccc2N2CCOCC2)nc1.
What is the InChIKey of 6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is NTXBXCGDMFFGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c18-11-14-5-6-17(19-12-14)20-13-15-3-1-2-4-16(15)21-7-9-22-10-8-21/h1-6,12H,7-10,13H2,(H,19,20).
What are the key properties of 6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile?
6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 56821492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).