N-benzyl-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide

C20H15N3OS — CID 4162089

IUPACN-benzyl-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2cncc(-c3ccsc3)c2n1
InChIInChI=1S/C20H15N3OS/c24-20(22-10-14-4-2-1-3-5-14)18-7-6-15-11-21-12-17(19(15)23-18)16-8-9-25-13-16/h1-9,11-13H,10H2,(H,22,24)
InChIKeyKCEHTFVIPBQDOP-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.29
Rot. Bonds4

About N-benzyl-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide

N-benzyl-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide (PubChem CID 4162089) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is N-benzyl-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
PubChem CID4162089
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC NameN-benzyl-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2cncc(-c3ccsc3)c2n1
InChIInChI=1S/C20H15N3OS/c24-20(22-10-14-4-2-1-3-5-14)18-7-6-15-11-21-12-17(19(15)23-18)16-8-9-25-13-16/h1-9,11-13H,10H2,(H,22,24)
InChIKeyKCEHTFVIPBQDOP-UHFFFAOYSA-N
XLogP4.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-phenylethyl]-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
CID 24730432
N-(oxolan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
CID 58979589
8-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide
CID 90178363
8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 75204137
N-benzyl-8-hydroxyquinoline-2-carboxamide
CID 46364206
8-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 159045768
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide
CID 90627962
N-benzyl-[1]benzofuro[3,2-b]pyridine-2-carboxamide
CID 69090493
8-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide
CID 144631408
8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 90178110
N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
CID 17015853
N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide
CID 117089108

Frequently Asked Questions

What is the IUPAC name of N-benzyl-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-benzyl-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide (CID 4162089) is N-benzyl-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-benzyl-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide is O=C(NCc1ccccc1)c1ccc2cncc(-c3ccsc3)c2n1.
What is the InChIKey of N-benzyl-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide?
The InChIKey is KCEHTFVIPBQDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c24-20(22-10-14-4-2-1-3-5-14)18-7-6-15-11-21-12-17(19(15)23-18)16-8-9-25-13-16/h1-9,11-13H,10H2,(H,22,24).
What are the key properties of N-benzyl-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide?
N-benzyl-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 4162089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).