3-methyl-N-(2-morpholin-4-ylethyl)-7-(2-piperidin-4-ylethylidene)-6H-naphthalene-2-carboxamide

C25H35N3O2 — CID 123163771

IUPAC3-methyl-N-(2-morpholin-4-ylethyl)-7-(2-piperidin-4-ylethylidene)-6H-naphthalene-2-carboxamide
SMILESCc1cc2c(cc1C(=O)NCCN1CCOCC1)=CC(=CCC1CCNCC1)CC=2
InChIInChI=1S/C25H35N3O2/c1-19-16-22-5-4-21(3-2-20-6-8-26-9-7-20)17-23(22)18-24(19)25(29)27-10-11-28-12-14-30-15-13-28/h3,5,16-18,20,26H,2,4,6-15H2,1H3,(H,27,29)
InChIKeyIWPOSDPTKBIYNS-UHFFFAOYSA-N
MW409.57 g/mol
LogP1.34
Rot. Bonds6

About 3-methyl-N-(2-morpholin-4-ylethyl)-7-(2-piperidin-4-ylethylidene)-6H-naphthalene-2-carboxamide

3-methyl-N-(2-morpholin-4-ylethyl)-7-(2-piperidin-4-ylethylidene)-6H-naphthalene-2-carboxamide (PubChem CID 123163771) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-ylethyl)-7-(2-piperidin-4-ylethylidene)-6H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-ylethyl)-7-(2-piperidin-4-ylethylidene)-6H-naphthalene-2-carboxamide
PubChem CID123163771
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name3-methyl-N-(2-morpholin-4-ylethyl)-7-(2-piperidin-4-ylethylidene)-6H-naphthalene-2-carboxamide
SMILESCc1cc2c(cc1C(=O)NCCN1CCOCC1)=CC(=CCC1CCNCC1)CC=2
InChIInChI=1S/C25H35N3O2/c1-19-16-22-5-4-21(3-2-20-6-8-26-9-7-20)17-23(22)18-24(19)25(29)27-10-11-28-12-14-30-15-13-28/h3,5,16-18,20,26H,2,4,6-15H2,1H3,(H,27,29)
InChIKeyIWPOSDPTKBIYNS-UHFFFAOYSA-N
XLogP1.34
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-7-(2-piperidin-4-ylethylidene)-6H-naphthalene-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-7-(2-piperidin-4-ylethylidene)-6H-naphthalene-2-carboxamide (CID 123163771) is 3-methyl-N-(2-morpholin-4-ylethyl)-7-(2-piperidin-4-ylethylidene)-6H-naphthalene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-ylethyl)-7-(2-piperidin-4-ylethylidene)-6H-naphthalene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-ylethyl)-7-(2-piperidin-4-ylethylidene)-6H-naphthalene-2-carboxamide is Cc1cc2c(cc1C(=O)NCCN1CCOCC1)=CC(=CCC1CCNCC1)CC=2.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-ylethyl)-7-(2-piperidin-4-ylethylidene)-6H-naphthalene-2-carboxamide?
The InChIKey is IWPOSDPTKBIYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-19-16-22-5-4-21(3-2-20-6-8-26-9-7-20)17-23(22)18-24(19)25(29)27-10-11-28-12-14-30-15-13-28/h3,5,16-18,20,26H,2,4,6-15H2,1H3,(H,27,29).
What are the key properties of 3-methyl-N-(2-morpholin-4-ylethyl)-7-(2-piperidin-4-ylethylidene)-6H-naphthalene-2-carboxamide?
3-methyl-N-(2-morpholin-4-ylethyl)-7-(2-piperidin-4-ylethylidene)-6H-naphthalene-2-carboxamide has a molecular weight of 409.57 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-ylethyl)-7-(2-piperidin-4-ylethylidene)-6H-naphthalene-2-carboxamide is sourced from PubChem (CID 123163771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).