[5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone

C15H24N4O — CID 63724060

IUPAC[5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccc(CN)cn2)C1
InChIInChI=1S/C15H24N4O/c1-3-18(4-2)13-7-8-19(11-13)15(20)14-6-5-12(9-16)10-17-14/h5-6,10,13H,3-4,7-9,11,16H2,1-2H3
InChIKeyGIAQRDWCGFMECB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.10
Rot. Bonds5

About [5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone

[5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone (PubChem CID 63724060) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
PubChem CID63724060
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccc(CN)cn2)C1
InChIInChI=1S/C15H24N4O/c1-3-18(4-2)13-7-8-19(11-13)15(20)14-6-5-12(9-16)10-17-14/h5-6,10,13H,3-4,7-9,11,16H2,1-2H3
InChIKeyGIAQRDWCGFMECB-UHFFFAOYSA-N
XLogP1.10
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone (CID 63724060) is [5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)c2ccc(CN)cn2)C1.
What is the InChIKey of [5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is GIAQRDWCGFMECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-18(4-2)13-7-8-19(11-13)15(20)14-6-5-12(9-16)10-17-14/h5-6,10,13H,3-4,7-9,11,16H2,1-2H3.
What are the key properties of [5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
[5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63724060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).