N-[(1S)-1-phenylethyl]-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide

C21H17N3OS — CID 24730432

IUPACN-[(1S)-1-phenylethyl]-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc2cncc(-c3ccsc3)c2n1)c1ccccc1
InChIInChI=1S/C21H17N3OS/c1-14(15-5-3-2-4-6-15)23-21(25)19-8-7-16-11-22-12-18(20(16)24-19)17-9-10-26-13-17/h2-14H,1H3,(H,23,25)/t14-/m0/s1
InChIKeyLMYIBSJKIXZTQG-AWEZNQCLSA-N
MW359.45 g/mol
LogP4.85
Rot. Bonds4

About N-[(1S)-1-phenylethyl]-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide

N-[(1S)-1-phenylethyl]-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide (PubChem CID 24730432) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
PubChem CID24730432
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC NameN-[(1S)-1-phenylethyl]-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc2cncc(-c3ccsc3)c2n1)c1ccccc1
InChIInChI=1S/C21H17N3OS/c1-14(15-5-3-2-4-6-15)23-21(25)19-8-7-16-11-22-12-18(20(16)24-19)17-9-10-26-13-17/h2-14H,1H3,(H,23,25)/t14-/m0/s1
InChIKeyLMYIBSJKIXZTQG-AWEZNQCLSA-N
XLogP4.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide
CID 144631410
8-(3-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide
CID 75203761
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide
CID 42749878
6-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide
CID 62844800
6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide
CID 103874025
N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide
CID 30479872
6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 62845141
2-(1-aminoethyl)-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 66388213
6-(dimethylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 84575144
N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 63037033
N-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 95100273

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide (CID 24730432) is N-[(1S)-1-phenylethyl]-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide is C[C@H](NC(=O)c1ccc2cncc(-c3ccsc3)c2n1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide?
The InChIKey is LMYIBSJKIXZTQG-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-14(15-5-3-2-4-6-15)23-21(25)19-8-7-16-11-22-12-18(20(16)24-19)17-9-10-26-13-17/h2-14H,1H3,(H,23,25)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide?
N-[(1S)-1-phenylethyl]-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 24730432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).