[3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone

C14H22N4O — CID 104641657

IUPAC[3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccc(C(=O)N2CCCC(N(C)C)C2)nc1
InChIInChI=1S/C14H22N4O/c1-15-11-6-7-13(16-9-11)14(19)18-8-4-5-12(10-18)17(2)3/h6-7,9,12,15H,4-5,8,10H2,1-3H3
InChIKeyODXBIXREDTZHTA-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.29
Rot. Bonds3

About [3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone

[3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone (PubChem CID 104641657) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
PubChem CID104641657
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccc(C(=O)N2CCCC(N(C)C)C2)nc1
InChIInChI=1S/C14H22N4O/c1-15-11-6-7-13(16-9-11)14(19)18-8-4-5-12(10-18)17(2)3/h6-7,9,12,15H,4-5,8,10H2,1-3H3
InChIKeyODXBIXREDTZHTA-UHFFFAOYSA-N
XLogP1.29
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104640276
[5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 104641627
[5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 113436179
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104641595
[(3S)-3-(dimethylamino)piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 95143975
[5-(methylamino)-2-pyridinyl]-(1,4-oxazepan-4-yl)methanone
CID 113436167
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109186144
(3-ethyl-4-methylpiperazin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone
CID 104641352
[2-(hydroxymethyl)morpholin-4-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 113436230
[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196342
[3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105386748
[4-(cyclopropylmethyl)piperazin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104641069

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone?
The IUPAC name of [3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone (CID 104641657) is [3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone.
What is the SMILES notation for [3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone?
The canonical SMILES for [3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone is CNc1ccc(C(=O)N2CCCC(N(C)C)C2)nc1.
What is the InChIKey of [3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone?
The InChIKey is ODXBIXREDTZHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-15-11-6-7-13(16-9-11)14(19)18-8-4-5-12(10-18)17(2)3/h6-7,9,12,15H,4-5,8,10H2,1-3H3.
What are the key properties of [3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone?
[3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone has a molecular weight of 262.36 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 104641657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).