[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C13H19N3O — CID 62172050

IUPAC[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCNc1ncccc1C(=O)N1CCCC(C)C1
InChIInChI=1S/C13H19N3O/c1-10-5-4-8-16(9-10)13(17)11-6-3-7-15-12(11)14-2/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,14,15)
InChIKeyOHHGCQKDWVCFFR-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.00
Rot. Bonds2

About [2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone

[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 62172050) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID62172050
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCNc1ncccc1C(=O)N1CCCC(C)C1
InChIInChI=1S/C13H19N3O/c1-10-5-4-8-16(9-10)13(17)11-6-3-7-15-12(11)14-2/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,14,15)
InChIKeyOHHGCQKDWVCFFR-UHFFFAOYSA-N
XLogP2.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydrazinyl-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 62249185
(3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62166241
(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172051
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(methylamino)-3-pyridinyl]methanone
CID 79945624
(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 107358404
(3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 84576155
[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 95728105
[(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 96502046
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 28667761
(2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62170253
[2-(methylamino)-3-pyridinyl]-[4-[4-[(3-methylpiperidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]methanone
CID 45202852
[4-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 62185539

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 62172050) is [2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone is CNc1ncccc1C(=O)N1CCCC(C)C1.
What is the InChIKey of [2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is OHHGCQKDWVCFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-5-4-8-16(9-10)13(17)11-6-3-7-15-12(11)14-2/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,14,15).
What are the key properties of [2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 62172050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).