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'}

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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).