[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone

C22H22N4O3 — CID 53312150

IUPAC[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cc(-c3ccc(C(=O)N4CCOCC4)cc3)cnc2N)cn1
InChIInChI=1S/C22H22N4O3/c1-28-20-7-6-17(13-24-20)19-12-18(14-25-21(19)23)15-2-4-16(5-3-15)22(27)26-8-10-29-11-9-26/h2-7,12-14H,8-11H2,1H3,(H2,23,25)
InChIKeyAIQVVTYFNCZUGZ-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.87
Rot. Bonds4

About [4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone

[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 53312150) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is [4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
PubChem CID53312150
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cc(-c3ccc(C(=O)N4CCOCC4)cc3)cnc2N)cn1
InChIInChI=1S/C22H22N4O3/c1-28-20-7-6-17(13-24-20)19-12-18(14-25-21(19)23)15-2-4-16(5-3-15)22(27)26-8-10-29-11-9-26/h2-7,12-14H,8-11H2,1H3,(H2,23,25)
InChIKeyAIQVVTYFNCZUGZ-UHFFFAOYSA-N
XLogP2.87
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone (CID 53312150) is [4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone is COc1ccc(-c2cc(-c3ccc(C(=O)N4CCOCC4)cc3)cnc2N)cn1.
What is the InChIKey of [4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is AIQVVTYFNCZUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-28-20-7-6-17(13-24-20)19-12-18(14-25-21(19)23)15-2-4-16(5-3-15)22(27)26-8-10-29-11-9-26/h2-7,12-14H,8-11H2,1H3,(H2,23,25).
What are the key properties of [4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone?
[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 390.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53312150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).