N-[(2-fluorophenyl)methyl]-N-[6-(pyridin-2-ylamino)hexyl]cyclobutanecarboxamide

C23H30FN3O — CID 42706505

IUPACN-[(2-fluorophenyl)methyl]-N-[6-(pyridin-2-ylamino)hexyl]cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(CCCCCCNc1ccccn1)Cc1ccccc1F
InChIInChI=1S/C23H30FN3O/c24-21-13-4-3-10-20(21)18-27(23(28)19-11-9-12-19)17-8-2-1-6-15-25-22-14-5-7-16-26-22/h3-5,7,10,13-14,16,19H,1-2,6,8-9,11-12,15,17-18H2,(H,25,26)
InChIKeyWCPJRDLNDSBNQZ-UHFFFAOYSA-N
MW383.51 g/mol
LogP5.02
Rot. Bonds11

About N-[(2-fluorophenyl)methyl]-N-[6-(pyridin-2-ylamino)hexyl]cyclobutanecarboxamide

N-[(2-fluorophenyl)methyl]-N-[6-(pyridin-2-ylamino)hexyl]cyclobutanecarboxamide (PubChem CID 42706505) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-[6-(pyridin-2-ylamino)hexyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-[6-(pyridin-2-ylamino)hexyl]cyclobutanecarboxamide
PubChem CID42706505
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC NameN-[(2-fluorophenyl)methyl]-N-[6-(pyridin-2-ylamino)hexyl]cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(CCCCCCNc1ccccn1)Cc1ccccc1F
InChIInChI=1S/C23H30FN3O/c24-21-13-4-3-10-20(21)18-27(23(28)19-11-9-12-19)17-8-2-1-6-15-25-22-14-5-7-16-26-22/h3-5,7,10,13-14,16,19H,1-2,6,8-9,11-12,15,17-18H2,(H,25,26)
InChIKeyWCPJRDLNDSBNQZ-UHFFFAOYSA-N
XLogP5.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.51
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-fluorophenyl)methyl]-N-[6-(pyridin-2-ylamino)hexyl]cyclobutanecarboxamide 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-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)-1-[6-(pyridin-2-ylamino)hexyl]urea
CID 42706509
N-[(2-fluorophenyl)methyl]-N'-pyridin-2-ylhexane-1,6-diamine
CID 4288141
cis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 91774938
N-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 119316064
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110426908
N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
(3R)-N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 97436003
ethyl 4-[(2-methoxyphenyl)methyl-[6-(pyridin-2-ylamino)hexyl]amino]-4-oxobutanoate
CID 42707860
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111361943
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
N-(5-chloropentyl)pyridin-2-amine
CID 107320546
N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide
CID 119874721

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-[6-(pyridin-2-ylamino)hexyl]cyclobutanecarboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-[6-(pyridin-2-ylamino)hexyl]cyclobutanecarboxamide (CID 42706505) is N-[(2-fluorophenyl)methyl]-N-[6-(pyridin-2-ylamino)hexyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-[6-(pyridin-2-ylamino)hexyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-[6-(pyridin-2-ylamino)hexyl]cyclobutanecarboxamide is O=C(C1CCC1)N(CCCCCCNc1ccccn1)Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-[6-(pyridin-2-ylamino)hexyl]cyclobutanecarboxamide?
The InChIKey is WCPJRDLNDSBNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c24-21-13-4-3-10-20(21)18-27(23(28)19-11-9-12-19)17-8-2-1-6-15-25-22-14-5-7-16-26-22/h3-5,7,10,13-14,16,19H,1-2,6,8-9,11-12,15,17-18H2,(H,25,26).
What are the key properties of N-[(2-fluorophenyl)methyl]-N-[6-(pyridin-2-ylamino)hexyl]cyclobutanecarboxamide?
N-[(2-fluorophenyl)methyl]-N-[6-(pyridin-2-ylamino)hexyl]cyclobutanecarboxamide has a molecular weight of 383.51 g/mol, XLogP of 5.02, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-[6-(pyridin-2-ylamino)hexyl]cyclobutanecarboxamide is sourced from PubChem (CID 42706505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).