N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide

C24H23FN4O2 — CID 46053170

IUPACN-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCCN(C(=O)c3ccccc3)CC2)nc1)c1ccccc1F
InChIInChI=1S/C24H23FN4O2/c25-21-10-5-4-9-20(21)23(30)27-19-11-12-22(26-17-19)28-13-6-14-29(16-15-28)24(31)18-7-2-1-3-8-18/h1-5,7-12,17H,6,13-16H2,(H,27,30)
InChIKeyIFMMKJBRNCSYOV-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.83
Rot. Bonds4

About N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide

N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide (PubChem CID 46053170) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
PubChem CID46053170
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC NameN-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCCN(C(=O)c3ccccc3)CC2)nc1)c1ccccc1F
InChIInChI=1S/C24H23FN4O2/c25-21-10-5-4-9-20(21)23(30)27-19-11-12-22(26-17-19)28-13-6-14-29(16-15-28)24(31)18-7-2-1-3-8-18/h1-5,7-12,17H,6,13-16H2,(H,27,30)
InChIKeyIFMMKJBRNCSYOV-UHFFFAOYSA-N
XLogP3.83
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-difluorobenzamide
CID 46053350
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 46053831
2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014414
(E)-N-[6-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide
CID 46053202
N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041978
N-[6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-methylbenzamide
CID 42857024
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
2-fluoro-N-[6-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 42857888
[6-(azepan-1-yl)-3-pyridinyl]-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 112818698
2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041854
N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 46053238
2-fluoro-N-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857382

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide (CID 46053170) is N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide is O=C(Nc1ccc(N2CCCN(C(=O)c3ccccc3)CC2)nc1)c1ccccc1F.
What is the InChIKey of N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is IFMMKJBRNCSYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c25-21-10-5-4-9-20(21)23(30)27-19-11-12-22(26-17-19)28-13-6-14-29(16-15-28)24(31)18-7-2-1-3-8-18/h1-5,7-12,17H,6,13-16H2,(H,27,30).
What are the key properties of N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide?
N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 418.47 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 46053170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).