N-[6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-dimethoxybenzamide

C26H26F2N4O4 — CID 46053280

IUPACN-[6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCN(C(=O)c4ccc(F)cc4F)CC3)nc2)c(OC)c1
InChIInChI=1S/C26H26F2N4O4/c1-35-19-6-8-21(23(15-19)36-2)25(33)30-18-5-9-24(29-16-18)31-10-3-11-32(13-12-31)26(34)20-7-4-17(27)14-22(20)28/h4-9,14-16H,3,10-13H2,1-2H3,(H,30,33)
InChIKeyNRJXWXPTFVFLGB-UHFFFAOYSA-N
MW496.51 g/mol
LogP3.98
Rot. Bonds6

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

N-[6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-dimethoxybenzamide (PubChem CID 46053280) has the molecular formula C26H26F2N4O4 and a molecular weight of 496.51 g/mol. Its IUPAC name is N-[6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-dimethoxybenzamide
PubChem CID46053280
Molecular FormulaC26H26F2N4O4
Molecular Weight496.51 g/mol
Exact Mass496.19
IUPAC NameN-[6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCN(C(=O)c4ccc(F)cc4F)CC3)nc2)c(OC)c1
InChIInChI=1S/C26H26F2N4O4/c1-35-19-6-8-21(23(15-19)36-2)25(33)30-18-5-9-24(29-16-18)31-10-3-11-32(13-12-31)26(34)20-7-4-17(27)14-22(20)28/h4-9,14-16H,3,10-13H2,1-2H3,(H,30,33)
InChIKeyNRJXWXPTFVFLGB-UHFFFAOYSA-N
XLogP3.98
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-dimethoxybenzamide with MolForge

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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-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-difluorobenzamide
CID 42857079
2,4-difluoro-N-[6-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 46053345
1-(3-chloro-4-fluorophenyl)-3-[6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]urea
CID 46053456
2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041854
N-[6-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 46053309
1-[6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-(4-methoxyphenyl)urea
CID 46053585
1-(3-fluoro-4-methylphenyl)-3-[6-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]urea
CID 46053513
2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42755598
N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
CID 46053044
N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 46053170
1-[6-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylurea
CID 83285222

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-dimethoxybenzamide (CID 46053280) is N-[6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(N3CCCN(C(=O)c4ccc(F)cc4F)CC3)nc2)c(OC)c1.
What is the InChIKey of N-[6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-dimethoxybenzamide?
The InChIKey is NRJXWXPTFVFLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O4/c1-35-19-6-8-21(23(15-19)36-2)25(33)30-18-5-9-24(29-16-18)31-10-3-11-32(13-12-31)26(34)20-7-4-17(27)14-22(20)28/h4-9,14-16H,3,10-13H2,1-2H3,(H,30,33).
What are the key properties of N-[6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-dimethoxybenzamide?
N-[6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-dimethoxybenzamide has a molecular weight of 496.51 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 46053280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).