[5-chloro-2-(propylamino)-4-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone

C16H24ClN3O — CID 114921944

IUPAC[5-chloro-2-(propylamino)-4-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCCCNc1cc(C(=O)N2CC(C)CC(C)C2)c(Cl)cn1
InChIInChI=1S/C16H24ClN3O/c1-4-5-18-15-7-13(14(17)8-19-15)16(21)20-9-11(2)6-12(3)10-20/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,19)
InChIKeyBGBRQIAZDVMITN-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.67
Rot. Bonds4

About [5-chloro-2-(propylamino)-4-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone

[5-chloro-2-(propylamino)-4-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 114921944) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is [5-chloro-2-(propylamino)-4-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(propylamino)-4-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID114921944
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name[5-chloro-2-(propylamino)-4-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCCCNc1cc(C(=O)N2CC(C)CC(C)C2)c(Cl)cn1
InChIInChI=1S/C16H24ClN3O/c1-4-5-18-15-7-13(14(17)8-19-15)16(21)20-9-11(2)6-12(3)10-20/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,19)
InChIKeyBGBRQIAZDVMITN-UHFFFAOYSA-N
XLogP3.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 114923995
[5-chloro-2-(propylamino)-4-pyridinyl]-(2-ethylthiomorpholin-4-yl)methanone
CID 114924716
[5-chloro-2-(propylamino)-4-pyridinyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 114923464
[5-chloro-2-(propylamino)-4-pyridinyl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 114922446
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 114923708
[5-chloro-2-(propylamino)-4-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone
CID 114922944
[5-chloro-2-(ethylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 114921371
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 114921368
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228721
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588815
5-chloro-N-(3-methylpentan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 106331340
5-chloro-2-(ethylamino)-N-(4-methylcyclohexyl)pyridine-4-carboxamide
CID 104983746

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(propylamino)-4-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [5-chloro-2-(propylamino)-4-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone (CID 114921944) is [5-chloro-2-(propylamino)-4-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-chloro-2-(propylamino)-4-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-chloro-2-(propylamino)-4-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone is CCCNc1cc(C(=O)N2CC(C)CC(C)C2)c(Cl)cn1.
What is the InChIKey of [5-chloro-2-(propylamino)-4-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is BGBRQIAZDVMITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-4-5-18-15-7-13(14(17)8-19-15)16(21)20-9-11(2)6-12(3)10-20/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,19).
What are the key properties of [5-chloro-2-(propylamino)-4-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone?
[5-chloro-2-(propylamino)-4-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 309.84 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(propylamino)-4-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114921944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).