[4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C17H21N3O2 — CID 109205080

IUPAC[4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(NCc3ccco3)ccn2)CC1
InChIInChI=1S/C17H21N3O2/c1-13-5-8-20(9-6-13)17(21)16-11-14(4-7-18-16)19-12-15-3-2-10-22-15/h2-4,7,10-11,13H,5-6,8-9,12H2,1H3,(H,18,19)
InChIKeyXHVZJYWMDAHEKN-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.16
Rot. Bonds4

About [4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109205080) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is [4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109205080
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name[4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(NCc3ccco3)ccn2)CC1
InChIInChI=1S/C17H21N3O2/c1-13-5-8-20(9-6-13)17(21)16-11-14(4-7-18-16)19-12-15-3-2-10-22-15/h2-4,7,10-11,13H,5-6,8-9,12H2,1H3,(H,18,19)
InChIKeyXHVZJYWMDAHEKN-UHFFFAOYSA-N
XLogP3.16
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(furan-2-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206395
[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 62171607
[4-(furan-2-ylmethylamino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109209484
(4-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109205096
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209475
3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209464
N-cyclopropyl-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109201702
2,3-dihydroindol-1-yl-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209514
[4-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205100
[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205101
[4-(3,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205154
[4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205215

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109205080) is [4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(NCc3ccco3)ccn2)CC1.
What is the InChIKey of [4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is XHVZJYWMDAHEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-5-8-20(9-6-13)17(21)16-11-14(4-7-18-16)19-12-15-3-2-10-22-15/h2-4,7,10-11,13H,5-6,8-9,12H2,1H3,(H,18,19).
What are the key properties of [4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109205080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).