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

C25H27N5O3S — CID 11540204

IUPAC8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(-c2cncc3ccc(C(=O)NCc4ccco4)nc23)s1
InChIInChI=1S/C25H27N5O3S/c1-3-30(4-2)12-11-27-25(32)22-10-9-21(34-22)19-16-26-14-17-7-8-20(29-23(17)19)24(31)28-15-18-6-5-13-33-18/h5-10,13-14,16H,3-4,11-12,15H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyJCVZBQMQDWFKGX-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.95
Rot. Bonds10

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

8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide (PubChem CID 11540204) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide
PubChem CID11540204
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(-c2cncc3ccc(C(=O)NCc4ccco4)nc23)s1
InChIInChI=1S/C25H27N5O3S/c1-3-30(4-2)12-11-27-25(32)22-10-9-21(34-22)19-16-26-14-17-7-8-20(29-23(17)19)24(31)28-15-18-6-5-13-33-18/h5-10,13-14,16H,3-4,11-12,15H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyJCVZBQMQDWFKGX-UHFFFAOYSA-N
XLogP3.95
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide (CID 11540204) is 8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide is CCN(CC)CCNC(=O)c1ccc(-c2cncc3ccc(C(=O)NCc4ccco4)nc23)s1.
What is the InChIKey of 8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide?
The InChIKey is JCVZBQMQDWFKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-3-30(4-2)12-11-27-25(32)22-10-9-21(34-22)19-16-26-14-17-7-8-20(29-23(17)19)24(31)28-15-18-6-5-13-33-18/h5-10,13-14,16H,3-4,11-12,15H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of 8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide?
8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 11540204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).