[5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone

C15H22ClN3O — CID 62187046

IUPAC[5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCCNc1ncc(C(=O)N2CCCC2CC)cc1Cl
InChIInChI=1S/C15H22ClN3O/c1-3-7-17-14-13(16)9-11(10-18-14)15(20)19-8-5-6-12(19)4-2/h9-10,12H,3-8H2,1-2H3,(H,17,18)
InChIKeyFVUAMJAMROABIG-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.57
Rot. Bonds5

About [5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone

[5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone (PubChem CID 62187046) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is [5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone
PubChem CID62187046
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name[5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCCNc1ncc(C(=O)N2CCCC2CC)cc1Cl
InChIInChI=1S/C15H22ClN3O/c1-3-7-17-14-13(16)9-11(10-18-14)15(20)19-8-5-6-12(19)4-2/h9-10,12H,3-8H2,1-2H3,(H,17,18)
InChIKeyFVUAMJAMROABIG-UHFFFAOYSA-N
XLogP3.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

(6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
CID 62155962
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 23725699
(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62890279
5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide
CID 62414075
[5-chloro-6-(propylamino)-3-pyridinyl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 62169217
[3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 63183625
[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172223
5-chloro-N-piperidin-1-yl-6-(propylamino)pyridine-3-carboxamide
CID 83023979
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974569
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone (CID 62187046) is [5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone is CCCNc1ncc(C(=O)N2CCCC2CC)cc1Cl.
What is the InChIKey of [5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone?
The InChIKey is FVUAMJAMROABIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-3-7-17-14-13(16)9-11(10-18-14)15(20)19-8-5-6-12(19)4-2/h9-10,12H,3-8H2,1-2H3,(H,17,18).
What are the key properties of [5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone?
[5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone has a molecular weight of 295.81 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62187046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).