N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)acetamide

C25H23FN6O — CID 154862613

IUPACN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESCc1nnnn1-c1ccc(F)c(NC(=O)CN2CC=C(c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C25H23FN6O/c1-17-28-29-30-32(17)20-9-10-23(26)24(15-20)27-25(33)16-31-13-11-19(12-14-31)22-8-4-6-18-5-2-3-7-21(18)22/h2-11,15H,12-14,16H2,1H3,(H,27,33)
InChIKeyVIBLMYGLVULBIY-UHFFFAOYSA-N
MW442.50 g/mol
LogP3.99
Rot. Bonds5

About N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)acetamide

N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)acetamide (PubChem CID 154862613) has the molecular formula C25H23FN6O and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)acetamide
PubChem CID154862613
Molecular FormulaC25H23FN6O
Molecular Weight442.50 g/mol
Exact Mass442.19
IUPAC NameN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESCc1nnnn1-c1ccc(F)c(NC(=O)CN2CC=C(c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C25H23FN6O/c1-17-28-29-30-32(17)20-9-10-23(26)24(15-20)27-25(33)16-31-13-11-19(12-14-31)22-8-4-6-18-5-2-3-7-21(18)22/h2-11,15H,12-14,16H2,1H3,(H,27,33)
InChIKeyVIBLMYGLVULBIY-UHFFFAOYSA-N
XLogP3.99
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[2-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide
CID 166351866
1-benzyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 56532758
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871463
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 56568252
2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 56568481
4-(4-chlorophenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide
CID 56568346
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 56571740
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 56568611
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 56568228
N-(2,5-dimethylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759411
(2S)-2-ethylsulfanyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-methylbutanamide
CID 95616798
N-[1-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 56571805

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The IUPAC name of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)acetamide (CID 154862613) is N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)acetamide.
What is the SMILES notation for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The canonical SMILES for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)acetamide is Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CC=C(c3cccc4ccccc34)CC2)c1.
What is the InChIKey of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The InChIKey is VIBLMYGLVULBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O/c1-17-28-29-30-32(17)20-9-10-23(26)24(15-20)27-25(33)16-31-13-11-19(12-14-31)22-8-4-6-18-5-2-3-7-21(18)22/h2-11,15H,12-14,16H2,1H3,(H,27,33).
What are the key properties of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)acetamide has a molecular weight of 442.50 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)acetamide is sourced from PubChem (CID 154862613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).