[4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C14H21N3O — CID 81236620

IUPAC[4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCNc1ccncc1C(=O)N1CCCC(C)C1
InChIInChI=1S/C14H21N3O/c1-3-16-13-6-7-15-9-12(13)14(18)17-8-4-5-11(2)10-17/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,15,16)
InChIKeyCXISMDPTJRZBSO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.39
Rot. Bonds3

About [4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone

[4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 81236620) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID81236620
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCNc1ccncc1C(=O)N1CCCC(C)C1
InChIInChI=1S/C14H21N3O/c1-3-16-13-6-7-15-9-12(13)14(18)17-8-4-5-11(2)10-17/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,15,16)
InChIKeyCXISMDPTJRZBSO-UHFFFAOYSA-N
XLogP2.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-[4-(ethylamino)-3-pyridinyl]methanone
CID 81236821
[4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 81236663
[4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone
CID 113418729
[4-(ethylamino)-3-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 81241066
[4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 81234090
(3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81243378
(2,6-dimethylpiperidin-1-yl)-[4-(ethylamino)-3-pyridinyl]methanone
CID 81236942
(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 81236621
(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81235903
(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 115646202
[3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 105069932
[6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 62172058

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 81236620) is [4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone is CCNc1ccncc1C(=O)N1CCCC(C)C1.
What is the InChIKey of [4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is CXISMDPTJRZBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-16-13-6-7-15-9-12(13)14(18)17-8-4-5-11(2)10-17/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,15,16).
What are the key properties of [4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 81236620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).