[(2S,6R)-2,6-dimethylpiperidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone

C16H25N3O — CID 104968822

IUPAC[(2S,6R)-2,6-dimethylpiperidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
SMILESCCCNc1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)ccn1
InChIInChI=1S/C16H25N3O/c1-4-9-17-15-11-14(8-10-18-15)16(20)19-12(2)6-5-7-13(19)3/h8,10-13H,4-7,9H2,1-3H3,(H,17,18)/t12-,13+
InChIKeyUZVCHHXFAPKLEP-BETUJISGSA-N
MW275.40 g/mol
LogP3.31
Rot. Bonds4

About [(2S,6R)-2,6-dimethylpiperidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone

[(2S,6R)-2,6-dimethylpiperidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone (PubChem CID 104968822) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylpiperidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylpiperidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
PubChem CID104968822
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[(2S,6R)-2,6-dimethylpiperidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
SMILESCCCNc1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)ccn1
InChIInChI=1S/C16H25N3O/c1-4-9-17-15-11-14(8-10-18-15)16(20)19-12(2)6-5-7-13(19)3/h8,10-13H,4-7,9H2,1-3H3,(H,17,18)/t12-,13+
InChIKeyUZVCHHXFAPKLEP-BETUJISGSA-N
XLogP3.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone
CID 63769851
(2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone
CID 62181812
[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 62173776
[2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83173918
(2-bromo-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 103755682
(2,6-dimethylpiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62173358
(2-ethyl-5-methylpyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
CID 83222002
N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62170975
N-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 107415245
N-(2-methoxycyclopentyl)-2-(propylamino)pyridine-4-carboxamide
CID 62181644
N-(oxan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 63362128
2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid
CID 43176732

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone (CID 104968822) is [(2S,6R)-2,6-dimethylpiperidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone is CCCNc1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)ccn1.
What is the InChIKey of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone?
The InChIKey is UZVCHHXFAPKLEP-BETUJISGSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-9-17-15-11-14(8-10-18-15)16(20)19-12(2)6-5-7-13(19)3/h8,10-13H,4-7,9H2,1-3H3,(H,17,18)/t12-,13+.
What are the key properties of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone?
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone has a molecular weight of 275.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 104968822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).