(2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone

C16H25N3O — CID 62181812

IUPAC(2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone
SMILESCCCNc1cc(C(=O)N2CCCC(C)C2C)ccn1
InChIInChI=1S/C16H25N3O/c1-4-8-17-15-11-14(7-9-18-15)16(20)19-10-5-6-12(2)13(19)3/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,17,18)
InChIKeyOTKIAOYVAXUZKY-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.16
Rot. Bonds4

About (2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone

(2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone (PubChem CID 62181812) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone
PubChem CID62181812
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone
SMILESCCCNc1cc(C(=O)N2CCCC(C)C2C)ccn1
InChIInChI=1S/C16H25N3O/c1-4-8-17-15-11-14(7-9-18-15)16(20)19-10-5-6-12(2)13(19)3/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,17,18)
InChIKeyOTKIAOYVAXUZKY-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 62173776
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 104968822
(2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62179694
[5-chloro-2-(propylamino)-4-pyridinyl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 114922446
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone
CID 63769851
2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122056228
[2-(ethylamino)-4-pyridinyl]-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 155953260
[2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone
CID 62172868
(2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone
CID 103738174
N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 62179148
(2,3-dimethylpiperidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105385102
(2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 62659970

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone?
The IUPAC name of (2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone (CID 62181812) is (2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone.
What is the SMILES notation for (2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone?
The canonical SMILES for (2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone is CCCNc1cc(C(=O)N2CCCC(C)C2C)ccn1.
What is the InChIKey of (2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone?
The InChIKey is OTKIAOYVAXUZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-8-17-15-11-14(7-9-18-15)16(20)19-10-5-6-12(2)13(19)3/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,17,18).
What are the key properties of (2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone?
(2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone has a molecular weight of 275.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 62181812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).