N-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C18H20N4O2 — CID 119494479

IUPACN-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(N2CCNCC2)cn1)C1Cc2ccccc2O1
InChIInChI=1S/C18H20N4O2/c23-18(16-11-13-3-1-2-4-15(13)24-16)21-17-6-5-14(12-20-17)22-9-7-19-8-10-22/h1-6,12,16,19H,7-11H2,(H,20,21,23)
InChIKeyUAGLBXLQCOBYDC-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.43
Rot. Bonds3

About N-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide

N-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 119494479) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID119494479
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(N2CCNCC2)cn1)C1Cc2ccccc2O1
InChIInChI=1S/C18H20N4O2/c23-18(16-11-13-3-1-2-4-15(13)24-16)21-17-6-5-14(12-20-17)22-9-7-19-8-10-22/h1-6,12,16,19H,7-11H2,(H,20,21,23)
InChIKeyUAGLBXLQCOBYDC-UHFFFAOYSA-N
XLogP1.43
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43044046
N-[5-(aminomethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 62353915
(2S)-5-oxo-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119494514
N-(5-piperazin-1-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 119494181
(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25337403
2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 119402574
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
N-[4-(4-methylpiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 78671276
N-(5-piperazin-1-yl-2-pyridinyl)-1-sulfamoylazetidine-3-carboxamide
CID 166394145
2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494252
N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119447753
(2S,3R)-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 38142951

Frequently Asked Questions

What is the IUPAC name of N-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 119494479) is N-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1ccc(N2CCNCC2)cn1)C1Cc2ccccc2O1.
What is the InChIKey of N-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is UAGLBXLQCOBYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-18(16-11-13-3-1-2-4-15(13)24-16)21-17-6-5-14(12-20-17)22-9-7-19-8-10-22/h1-6,12,16,19H,7-11H2,(H,20,21,23).
What are the key properties of N-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119494479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).