(2-ethylpiperidin-1-yl)-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone

C19H25N3O2 — CID 59625236

IUPAC(2-ethylpiperidin-1-yl)-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccc(C)nc1NCc1ccco1
InChIInChI=1S/C19H25N3O2/c1-3-15-7-4-5-11-22(15)19(23)17-10-9-14(2)21-18(17)20-13-16-8-6-12-24-16/h6,8-10,12,15H,3-5,7,11,13H2,1-2H3,(H,20,21)
InChIKeyYMPNVQHSKYQQOW-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.00
Rot. Bonds5

About (2-ethylpiperidin-1-yl)-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone

(2-ethylpiperidin-1-yl)-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone (PubChem CID 59625236) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone
PubChem CID59625236
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2-ethylpiperidin-1-yl)-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccc(C)nc1NCc1ccco1
InChIInChI=1S/C19H25N3O2/c1-3-15-7-4-5-11-22(15)19(23)17-10-9-14(2)21-18(17)20-13-16-8-6-12-24-16/h6,8-10,12,15H,3-5,7,11,13H2,1-2H3,(H,20,21)
InChIKeyYMPNVQHSKYQQOW-UHFFFAOYSA-N
XLogP4.00
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone (CID 59625236) is (2-ethylpiperidin-1-yl)-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone is CCC1CCCCN1C(=O)c1ccc(C)nc1NCc1ccco1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone?
The InChIKey is YMPNVQHSKYQQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-15-7-4-5-11-22(15)19(23)17-10-9-14(2)21-18(17)20-13-16-8-6-12-24-16/h6,8-10,12,15H,3-5,7,11,13H2,1-2H3,(H,20,21).
What are the key properties of (2-ethylpiperidin-1-yl)-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone?
(2-ethylpiperidin-1-yl)-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone has a molecular weight of 327.43 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]methanone is sourced from PubChem (CID 59625236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).