[5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone

C15H22ClN3O — CID 114924337

IUPAC[5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1cc(NC)ncc1Cl
InChIInChI=1S/C15H22ClN3O/c1-3-6-11-7-4-5-8-19(11)15(20)12-9-14(17-2)18-10-13(12)16/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyKVPIIGDKFLXBCO-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.57
Rot. Bonds4

About [5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone

[5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone (PubChem CID 114924337) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is [5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
PubChem CID114924337
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name[5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1cc(NC)ncc1Cl
InChIInChI=1S/C15H22ClN3O/c1-3-6-11-7-4-5-8-19(11)15(20)12-9-14(17-2)18-10-13(12)16/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyKVPIIGDKFLXBCO-UHFFFAOYSA-N
XLogP3.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone with MolForge

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Related Compounds

[6-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 83061594
[5-bromo-2-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 83061828
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 114922378
(2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
CID 114922134
(5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83061992
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 114921368
(5-amino-2-methyl-3-pyridinyl)-(2-propylpiperidin-1-yl)methanone
CID 83053618
[5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83045411
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 114923470
[5-chloro-2-(propylamino)-4-pyridinyl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 114922446
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-chloro-2-(methylamino)-4-pyridinyl]methanone
CID 114924253
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
CID 114923201

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone?
The IUPAC name of [5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone (CID 114924337) is [5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone?
The canonical SMILES for [5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone is CCCC1CCCCN1C(=O)c1cc(NC)ncc1Cl.
What is the InChIKey of [5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone?
The InChIKey is KVPIIGDKFLXBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-3-6-11-7-4-5-8-19(11)15(20)12-9-14(17-2)18-10-13(12)16/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of [5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone?
[5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone has a molecular weight of 295.81 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 114924337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).