[5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone

C14H22N4O — CID 63723390

IUPAC[5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
SMILESCN(C)CC1CCCN1C(=O)c1ccc(CN)cn1
InChIInChI=1S/C14H22N4O/c1-17(2)10-12-4-3-7-18(12)14(19)13-6-5-11(8-15)9-16-13/h5-6,9,12H,3-4,7-8,10,15H2,1-2H3
InChIKeyIORGVIBPMCNYIB-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.71
Rot. Bonds4

About [5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone

[5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone (PubChem CID 63723390) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
PubChem CID63723390
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
SMILESCN(C)CC1CCCN1C(=O)c1ccc(CN)cn1
InChIInChI=1S/C14H22N4O/c1-17(2)10-12-4-3-7-18(12)14(19)13-6-5-11(8-15)9-16-13/h5-6,9,12H,3-4,7-8,10,15H2,1-2H3
InChIKeyIORGVIBPMCNYIB-UHFFFAOYSA-N
XLogP0.71
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 81316793
6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide
CID 63747788
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375498
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[6-(ethylamino)pyridazin-3-yl]methanone
CID 62889950
[5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63724060
[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 95591150
(3-amino-4-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 105069899
(5-amino-2-methyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 55127274
(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62890279
1-[5-(aminomethyl)pyridine-2-carbonyl]piperidine-3-carboxamide
CID 63724885
[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62957995
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[6-(ethylamino)-2-pyridinyl]methanone
CID 62889943

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone (CID 63723390) is [5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone is CN(C)CC1CCCN1C(=O)c1ccc(CN)cn1.
What is the InChIKey of [5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is IORGVIBPMCNYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17(2)10-12-4-3-7-18(12)14(19)13-6-5-11(8-15)9-16-13/h5-6,9,12H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of [5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
[5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 262.36 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63723390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).