[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

C20H27N5O3 — CID 109186130

IUPAC[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESCN(C)CCCNc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nc1
InChIInChI=1S/C20H27N5O3/c1-23(2)9-4-8-21-16-6-7-17(22-15-16)19(26)24-10-12-25(13-11-24)20(27)18-5-3-14-28-18/h3,5-7,14-15,21H,4,8-13H2,1-2H3
InChIKeyAQDCIBJXNQOANS-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.64
Rot. Bonds7

About [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 109186130) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
PubChem CID109186130
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESCN(C)CCCNc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nc1
InChIInChI=1S/C20H27N5O3/c1-23(2)9-4-8-21-16-6-7-17(22-15-16)19(26)24-10-12-25(13-11-24)20(27)18-5-3-14-28-18/h3,5-7,14-15,21H,4,8-13H2,1-2H3
InChIKeyAQDCIBJXNQOANS-UHFFFAOYSA-N
XLogP1.64
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(furan-2-carbonyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-2-pyridinyl]methanone
CID 109184431
N-[2-(dimethylamino)ethyl]-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109185331
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109186144
3,4-dihydro-2H-quinolin-1-yl-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]methanone
CID 109186156
N-[3-(dimethylamino)propyl]-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108973773
[4-[3-(dimethylamino)propylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109207935
2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004654
N-[2-(dimethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 108994620
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109186143
morpholin-4-yl-[5-(2-phenylethylamino)-2-pyridinyl]methanone
CID 109184585
N-[3-(dimethylamino)propyl]-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113117863
[4-[2-(diethylamino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109262135

Frequently Asked Questions

What is the IUPAC name of [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (CID 109186130) is [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is CN(C)CCCNc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nc1.
What is the InChIKey of [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is AQDCIBJXNQOANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-23(2)9-4-8-21-16-6-7-17(22-15-16)19(26)24-10-12-25(13-11-24)20(27)18-5-3-14-28-18/h3,5-7,14-15,21H,4,8-13H2,1-2H3.
What are the key properties of [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 385.47 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109186130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).