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

C20H20N4O3S — CID 46053082

IUPACN-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCN(C(=O)c3cccs3)CC2)nc1)c1ccco1
InChIInChI=1S/C20H20N4O3S/c25-19(16-4-1-12-27-16)22-15-6-7-18(21-14-15)23-8-3-9-24(11-10-23)20(26)17-5-2-13-28-17/h1-2,4-7,12-14H,3,8-11H2,(H,22,25)
InChIKeyMVULGMLHCKJXAQ-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.34
Rot. Bonds4

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

N-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide (PubChem CID 46053082) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
PubChem CID46053082
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCN(C(=O)c3cccs3)CC2)nc1)c1ccco1
InChIInChI=1S/C20H20N4O3S/c25-19(16-4-1-12-27-16)22-15-6-7-18(21-14-15)23-8-3-9-24(11-10-23)20(26)17-5-2-13-28-17/h1-2,4-7,12-14H,3,8-11H2,(H,22,25)
InChIKeyMVULGMLHCKJXAQ-UHFFFAOYSA-N
XLogP3.34
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 42856931
N-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
CID 133302669
N-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 42691393
N-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbonyl]phenyl]furan-2-carboxamide
CID 46628495
N-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 113014476
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 42857505
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041971
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
(E)-3-phenyl-N-[6-[4-(thiophene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]prop-2-enamide
CID 46042022
N-[6-[4-(4-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 46084240
N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide
CID 1288299

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide (CID 46053082) is N-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide is O=C(Nc1ccc(N2CCCN(C(=O)c3cccs3)CC2)nc1)c1ccco1.
What is the InChIKey of N-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide?
The InChIKey is MVULGMLHCKJXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-19(16-4-1-12-27-16)22-15-6-7-18(21-14-15)23-8-3-9-24(11-10-23)20(26)17-5-2-13-28-17/h1-2,4-7,12-14H,3,8-11H2,(H,22,25).
What are the key properties of N-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide?
N-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 46053082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).