[6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C18H28N4O — CID 131923003

IUPAC[6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCN1CCCCC1CNc1ccc(C(=O)N2CCCC2)cn1
InChIInChI=1S/C18H28N4O/c1-2-21-10-4-3-7-16(21)14-20-17-9-8-15(13-19-17)18(23)22-11-5-6-12-22/h8-9,13,16H,2-7,10-12,14H2,1H3,(H,19,20)
InChIKeyPGLPZMIFBNWGLJ-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.60
Rot. Bonds5

About [6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 131923003) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is [6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID131923003
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name[6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCN1CCCCC1CNc1ccc(C(=O)N2CCCC2)cn1
InChIInChI=1S/C18H28N4O/c1-2-21-10-4-3-7-16(21)14-20-17-9-8-15(13-19-17)18(23)22-11-5-6-12-22/h8-9,13,16H,2-7,10-12,14H2,1H3,(H,19,20)
InChIKeyPGLPZMIFBNWGLJ-UHFFFAOYSA-N
XLogP2.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 60722911
azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone
CID 62172577
[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
methyl 5-[(1-ethylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate
CID 126806914
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935
[6-(ethylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62165751
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62165372
[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 97314114
[2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone
CID 84570849
[6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109151990
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 28819878

Frequently Asked Questions

What is the IUPAC name of [6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 131923003) is [6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone is CCN1CCCCC1CNc1ccc(C(=O)N2CCCC2)cn1.
What is the InChIKey of [6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is PGLPZMIFBNWGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-2-21-10-4-3-7-16(21)14-20-17-9-8-15(13-19-17)18(23)22-11-5-6-12-22/h8-9,13,16H,2-7,10-12,14H2,1H3,(H,19,20).
What are the key properties of [6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 316.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 131923003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).