5-N-(3-methoxyphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide

C20H24N4O4 — CID 109104239

IUPAC5-N-(3-methoxyphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cncc(C(=O)NCCN3CCOCC3)c2)c1
InChIInChI=1S/C20H24N4O4/c1-27-18-4-2-3-17(12-18)23-20(26)16-11-15(13-21-14-16)19(25)22-5-6-24-7-9-28-10-8-24/h2-4,11-14H,5-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyFDBDPUFEKDBWBS-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.40
Rot. Bonds7

About 5-N-(3-methoxyphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide

5-N-(3-methoxyphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide (PubChem CID 109104239) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-N-(3-methoxyphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-methoxyphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
PubChem CID109104239
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name5-N-(3-methoxyphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cncc(C(=O)NCCN3CCOCC3)c2)c1
InChIInChI=1S/C20H24N4O4/c1-27-18-4-2-3-17(12-18)23-20(26)16-11-15(13-21-14-16)19(25)22-5-6-24-7-9-28-10-8-24/h2-4,11-14H,5-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyFDBDPUFEKDBWBS-UHFFFAOYSA-N
XLogP1.40
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-methoxyphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-methoxyphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide (CID 109104239) is 5-N-(3-methoxyphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-methoxyphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-methoxyphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide is COc1cccc(NC(=O)c2cncc(C(=O)NCCN3CCOCC3)c2)c1.
What is the InChIKey of 5-N-(3-methoxyphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide?
The InChIKey is FDBDPUFEKDBWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-27-18-4-2-3-17(12-18)23-20(26)16-11-15(13-21-14-16)19(25)22-5-6-24-7-9-28-10-8-24/h2-4,11-14H,5-10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 5-N-(3-methoxyphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide?
5-N-(3-methoxyphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide has a molecular weight of 384.44 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-methoxyphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109104239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).