[2-(methylamino)-3-pyridinyl]-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]methanone

C18H18N4O3S — CID 167812447

IUPAC[2-(methylamino)-3-pyridinyl]-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]methanone
SMILESCNc1ncccc1C(=O)N1CCN(C(=O)c2cc3occc3s2)CC1
InChIInChI=1S/C18H18N4O3S/c1-19-16-12(3-2-5-20-16)17(23)21-6-8-22(9-7-21)18(24)15-11-13-14(26-15)4-10-25-13/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeyCPNDLQJGHSXYIP-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.53
Rot. Bonds3

About [2-(methylamino)-3-pyridinyl]-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]methanone

[2-(methylamino)-3-pyridinyl]-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]methanone (PubChem CID 167812447) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is [2-(methylamino)-3-pyridinyl]-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(methylamino)-3-pyridinyl]-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]methanone
PubChem CID167812447
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name[2-(methylamino)-3-pyridinyl]-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]methanone
SMILESCNc1ncccc1C(=O)N1CCN(C(=O)c2cc3occc3s2)CC1
InChIInChI=1S/C18H18N4O3S/c1-19-16-12(3-2-5-20-16)17(23)21-6-8-22(9-7-21)18(24)15-11-13-14(26-15)4-10-25-13/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeyCPNDLQJGHSXYIP-UHFFFAOYSA-N
XLogP2.53
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(methylamino)-3-pyridinyl]-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one
CID 29149627
(3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62166241
[4-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 62185539
4-[[4-(thieno[3,2-b]furan-5-carbonyl)piperazine-1-carbonyl]amino]butanoic acid
CID 122023144
2-amino-3-methoxy-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]propan-1-one
CID 120990675
[2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 50956103
[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172050
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(methylamino)-3-pyridinyl]methanone
CID 79945624
(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 84575153
[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 91795630
[2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone
CID 95147443
(2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62170253

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-3-pyridinyl]-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(methylamino)-3-pyridinyl]-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]methanone (CID 167812447) is [2-(methylamino)-3-pyridinyl]-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(methylamino)-3-pyridinyl]-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(methylamino)-3-pyridinyl]-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]methanone is CNc1ncccc1C(=O)N1CCN(C(=O)c2cc3occc3s2)CC1.
What is the InChIKey of [2-(methylamino)-3-pyridinyl]-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]methanone?
The InChIKey is CPNDLQJGHSXYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-19-16-12(3-2-5-20-16)17(23)21-6-8-22(9-7-21)18(24)15-11-13-14(26-15)4-10-25-13/h2-5,10-11H,6-9H2,1H3,(H,19,20).
What are the key properties of [2-(methylamino)-3-pyridinyl]-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]methanone?
[2-(methylamino)-3-pyridinyl]-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]methanone has a molecular weight of 370.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-3-pyridinyl]-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 167812447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).