4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)benzamide

C24H27N5O3 — CID 53312237

IUPAC4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1ccc(-c2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cnc2N)cn1
InChIInChI=1S/C24H27N5O3/c1-31-22-7-6-19(15-27-22)21-14-20(16-28-23(21)25)17-2-4-18(5-3-17)24(30)26-8-9-29-10-12-32-13-11-29/h2-7,14-16H,8-13H2,1H3,(H2,25,28)(H,26,30)
InChIKeyWGEPNHZGKKWHID-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.46
Rot. Bonds7

About 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)benzamide

4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 53312237) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID53312237
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1ccc(-c2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cnc2N)cn1
InChIInChI=1S/C24H27N5O3/c1-31-22-7-6-19(15-27-22)21-14-20(16-28-23(21)25)17-2-4-18(5-3-17)24(30)26-8-9-29-10-12-32-13-11-29/h2-7,14-16H,8-13H2,1H3,(H2,25,28)(H,26,30)
InChIKeyWGEPNHZGKKWHID-UHFFFAOYSA-N
XLogP2.46
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 53312237) is 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)benzamide is COc1ccc(-c2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cnc2N)cn1.
What is the InChIKey of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is WGEPNHZGKKWHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-31-22-7-6-19(15-27-22)21-14-20(16-28-23(21)25)17-2-4-18(5-3-17)24(30)26-8-9-29-10-12-32-13-11-29/h2-7,14-16H,8-13H2,1H3,(H2,25,28)(H,26,30).
What are the key properties of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)benzamide?
4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 433.51 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 53312237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).