4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile

C17H18N4O2 — CID 66632477

IUPAC4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile
SMILESCOc1cc(-c2cnc(N3CCOCC3)cc2N)ccc1C#N
InChIInChI=1S/C17H18N4O2/c1-22-16-8-12(2-3-13(16)10-18)14-11-20-17(9-15(14)19)21-4-6-23-7-5-21/h2-3,8-9,11H,4-7H2,1H3,(H2,19,20)
InChIKeyPFOOSEWGITTXLE-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.05
Rot. Bonds3

About 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile

4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile (PubChem CID 66632477) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile
PubChem CID66632477
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile
SMILESCOc1cc(-c2cnc(N3CCOCC3)cc2N)ccc1C#N
InChIInChI=1S/C17H18N4O2/c1-22-16-8-12(2-3-13(16)10-18)14-11-20-17(9-15(14)19)21-4-6-23-7-5-21/h2-3,8-9,11H,4-7H2,1H3,(H2,19,20)
InChIKeyPFOOSEWGITTXLE-UHFFFAOYSA-N
XLogP2.05
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2-methoxyphenyl)-2-pyridinyl]morpholine
CID 134375667
2-amino-8-methoxy-5-morpholin-4-ylquinoline-3-carbonitrile
CID 86049209
2-methoxy-4-[2-[2-methoxy-5-(4-morpholin-4-ylcyclohexyl)anilino]pyrimidin-5-yl]benzonitrile
CID 166882340
7-methoxy-2-(2-morpholin-4-yl-4-pyridinyl)quinazoline-4,6-diamine
CID 175297707
2-methyl-6-morpholin-4-ylpyridine-3-carbonitrile
CID 102544178
5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 67258367
2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde
CID 59599778
N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-amine
CID 11996073
2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylpyridin-3-amine
CID 59631416
N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857127
2-[(3-methyloxetan-3-yl)methoxy]-5-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile
CID 118553682

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile?
The IUPAC name of 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile (CID 66632477) is 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile.
What is the SMILES notation for 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile?
The canonical SMILES for 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile is COc1cc(-c2cnc(N3CCOCC3)cc2N)ccc1C#N.
What is the InChIKey of 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile?
The InChIKey is PFOOSEWGITTXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-22-16-8-12(2-3-13(16)10-18)14-11-20-17(9-15(14)19)21-4-6-23-7-5-21/h2-3,8-9,11H,4-7H2,1H3,(H2,19,20).
What are the key properties of 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile?
4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile has a molecular weight of 310.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile is sourced from PubChem (CID 66632477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).