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

C24H26N4O5 — CID 42856931

IUPACN-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCCN(c3ccc(NC(=O)c4ccco4)cn3)CC2)cc1OC
InChIInChI=1S/C24H26N4O5/c1-31-19-8-6-17(15-21(19)32-2)24(30)28-11-4-10-27(12-13-28)22-9-7-18(16-25-22)26-23(29)20-5-3-14-33-20/h3,5-9,14-16H,4,10-13H2,1-2H3,(H,26,29)
InChIKeyBGPXCCWDMDHOIQ-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.30
Rot. Bonds6

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

N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide (PubChem CID 42856931) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
PubChem CID42856931
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC NameN-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCCN(c3ccc(NC(=O)c4ccco4)cn3)CC2)cc1OC
InChIInChI=1S/C24H26N4O5/c1-31-19-8-6-17(15-21(19)32-2)24(30)28-11-4-10-27(12-13-28)22-9-7-18(16-25-22)26-23(29)20-5-3-14-33-20/h3,5-9,14-16H,4,10-13H2,1-2H3,(H,26,29)
InChIKeyBGPXCCWDMDHOIQ-UHFFFAOYSA-N
XLogP3.30
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbonyl]phenyl]furan-2-carboxamide
CID 46628495
N-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 46053082
1-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-(2,3-dimethylphenyl)urea
CID 46053486
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041971
N-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 30266978
N-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 113014476
N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide
CID 42857103
N-[6-(4-pentanoylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 42849956
N-[6-[4-(4-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 46084240
1-[6-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylurea
CID 83285222
N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 46054113
N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041970

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide (CID 42856931) is N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide is COc1ccc(C(=O)N2CCCN(c3ccc(NC(=O)c4ccco4)cn3)CC2)cc1OC.
What is the InChIKey of N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide?
The InChIKey is BGPXCCWDMDHOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-31-19-8-6-17(15-21(19)32-2)24(30)28-11-4-10-27(12-13-28)22-9-7-18(16-25-22)26-23(29)20-5-3-14-33-20/h3,5-9,14-16H,4,10-13H2,1-2H3,(H,26,29).
What are the key properties of N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide?
N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 42856931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).