N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide

C24H22FN7O — CID 20595265

IUPACN-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide
SMILES[H]/N=C(/c1ccc(NC(=O)c2nnnn2-c2ccc3ccccc3c2)c(F)c1)N1CCCCC1
InChIInChI=1S/C24H22FN7O/c25-20-15-18(22(26)31-12-4-1-5-13-31)9-11-21(20)27-24(33)23-28-29-30-32(23)19-10-8-16-6-2-3-7-17(16)14-19/h2-3,6-11,14-15,26H,1,4-5,12-13H2,(H,27,33)/b26-22-
InChIKeyIWHGHJSQXRXPDK-ROMGYVFFSA-N
MW443.49 g/mol
LogP4.02
Rot. Bonds4

About N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide

N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide (PubChem CID 20595265) has the molecular formula C24H22FN7O and a molecular weight of 443.49 g/mol. Its IUPAC name is N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide
PubChem CID20595265
Molecular FormulaC24H22FN7O
Molecular Weight443.49 g/mol
Exact Mass443.19
IUPAC NameN-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide
SMILES[H]/N=C(/c1ccc(NC(=O)c2nnnn2-c2ccc3ccccc3c2)c(F)c1)N1CCCCC1
InChIInChI=1S/C24H22FN7O/c25-20-15-18(22(26)31-12-4-1-5-13-31)9-11-21(20)27-24(33)23-28-29-30-32(23)19-10-8-16-6-2-3-7-17(16)14-19/h2-3,6-11,14-15,26H,1,4-5,12-13H2,(H,27,33)/b26-22-
InChIKeyIWHGHJSQXRXPDK-ROMGYVFFSA-N
XLogP4.02
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]tetrazole-5-carboxamide
CID 21366448
N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide
CID 20595244
N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide
CID 20595268
4-(azetidine-1-carboximidoyl)-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-fluorobenzamide;N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide
CID 160964311
1-(3-fluoronaphthalen-2-yl)-N-[4-(piperidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 21366568
4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide
CID 109049185
morpholin-4-yl(naphthalen-2-yl)methanimine
CID 63179433
4-(azetidine-1-carboximidoyl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide
CID 18727742
N-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701
5-methyl-N-[4-(piperidine-1-carboximidoyl)phenyl]-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide
CID 20595110
N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 10183390
5-fluoro-N-(4-methylphenyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 89063340

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide?
The IUPAC name of N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide (CID 20595265) is N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide?
The canonical SMILES for N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide is [H]/N=C(/c1ccc(NC(=O)c2nnnn2-c2ccc3ccccc3c2)c(F)c1)N1CCCCC1.
What is the InChIKey of N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide?
The InChIKey is IWHGHJSQXRXPDK-ROMGYVFFSA-N. The full InChI is InChI=1S/C24H22FN7O/c25-20-15-18(22(26)31-12-4-1-5-13-31)9-11-21(20)27-24(33)23-28-29-30-32(23)19-10-8-16-6-2-3-7-17(16)14-19/h2-3,6-11,14-15,26H,1,4-5,12-13H2,(H,27,33)/b26-22-.
What are the key properties of N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide?
N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide has a molecular weight of 443.49 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide is sourced from PubChem (CID 20595265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).