8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide

C23H23N5O3S — CID 11604808

IUPAC8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cncc3ccc(C(=O)NCc4ccco4)nc23)s1
InChIInChI=1S/C23H23N5O3S/c1-28(2)10-9-25-23(30)20-8-7-19(32-20)17-14-24-12-15-5-6-18(27-21(15)17)22(29)26-13-16-4-3-11-31-16/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,25,30)(H,26,29)
InChIKeySGCIRMQYTSKGAB-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.17
Rot. Bonds8

About 8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide

8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide (PubChem CID 11604808) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide
PubChem CID11604808
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC Name8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cncc3ccc(C(=O)NCc4ccco4)nc23)s1
InChIInChI=1S/C23H23N5O3S/c1-28(2)10-9-25-23(30)20-8-7-19(32-20)17-14-24-12-15-5-6-18(27-21(15)17)22(29)26-13-16-4-3-11-31-16/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,25,30)(H,26,29)
InChIKeySGCIRMQYTSKGAB-UHFFFAOYSA-N
XLogP3.17
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide (CID 11604808) is 8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide is CN(C)CCNC(=O)c1ccc(-c2cncc3ccc(C(=O)NCc4ccco4)nc23)s1.
What is the InChIKey of 8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide?
The InChIKey is SGCIRMQYTSKGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-28(2)10-9-25-23(30)20-8-7-19(32-20)17-14-24-12-15-5-6-18(27-21(15)17)22(29)26-13-16-4-3-11-31-16/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of 8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide?
8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide has a molecular weight of 449.54 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 11604808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).