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

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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).