N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide

C23H24N4O4 — CID 42857103

IUPACN-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(N2CCCN(C(=O)c3ccco3)CC2)nc1
InChIInChI=1S/C23H24N4O4/c28-22(17-31-19-6-2-1-3-7-19)25-18-9-10-21(24-16-18)26-11-5-12-27(14-13-26)23(29)20-8-4-15-30-20/h1-4,6-10,15-16H,5,11-14,17H2,(H,25,28)
InChIKeyYKMWNPUEXBCOTR-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.04
Rot. Bonds6

About N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide

N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide (PubChem CID 42857103) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide
PubChem CID42857103
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(N2CCCN(C(=O)c3ccco3)CC2)nc1
InChIInChI=1S/C23H24N4O4/c28-22(17-31-19-6-2-1-3-7-19)25-18-9-10-21(24-16-18)26-11-5-12-27(14-13-26)23(29)20-8-4-15-30-20/h1-4,6-10,15-16H,5,11-14,17H2,(H,25,28)
InChIKeyYKMWNPUEXBCOTR-UHFFFAOYSA-N
XLogP3.04
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 46157200
N-[6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide
CID 46053392
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-phenoxyacetamide
CID 46054009
2-phenoxy-N-[6-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]-3-pyridinyl]acetamide
CID 46053391
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 46157166
2-(4-phenylmethoxyphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 134035859
N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide
CID 46054016
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-methylphenoxy)acetamide
CID 3161566
N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 46053238
N-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 46053082
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041971
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide
CID 113014461

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide?
The IUPAC name of N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide (CID 42857103) is N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide?
The canonical SMILES for N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(N2CCCN(C(=O)c3ccco3)CC2)nc1.
What is the InChIKey of N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide?
The InChIKey is YKMWNPUEXBCOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c28-22(17-31-19-6-2-1-3-7-19)25-18-9-10-21(24-16-18)26-11-5-12-27(14-13-26)23(29)20-8-4-15-30-20/h1-4,6-10,15-16H,5,11-14,17H2,(H,25,28).
What are the key properties of N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide?
N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide has a molecular weight of 420.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide is sourced from PubChem (CID 42857103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).