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

C14H21N3O — CID 113418729

IUPAC[4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone
SMILESCCNc1ccncc1C(=O)N1CCC(CC)C1
InChIInChI=1S/C14H21N3O/c1-3-11-6-8-17(10-11)14(18)12-9-15-7-5-13(12)16-4-2/h5,7,9,11H,3-4,6,8,10H2,1-2H3,(H,15,16)
InChIKeyHJZQPYOPFDNGTI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.39
Rot. Bonds4

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

[4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone (PubChem CID 113418729) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone
PubChem CID113418729
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone
SMILESCCNc1ccncc1C(=O)N1CCC(CC)C1
InChIInChI=1S/C14H21N3O/c1-3-11-6-8-17(10-11)14(18)12-9-15-7-5-13(12)16-4-2/h5,7,9,11H,3-4,6,8,10H2,1-2H3,(H,15,16)
InChIKeyHJZQPYOPFDNGTI-UHFFFAOYSA-N
XLogP2.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81243378
[4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 81236620
(3,5-dimethylpiperidin-1-yl)-[4-(ethylamino)-3-pyridinyl]methanone
CID 81236821
[4-(ethylamino)-3-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 81241066
[4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 81236663
[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81234775
[4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 81234090
(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81235903
(2,6-dimethylpiperidin-1-yl)-[4-(ethylamino)-3-pyridinyl]methanone
CID 81236942
4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 81239986
(2-ethylmorpholin-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81242863
[3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 105068580

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone (CID 113418729) is [4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone is CCNc1ccncc1C(=O)N1CCC(CC)C1.
What is the InChIKey of [4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone?
The InChIKey is HJZQPYOPFDNGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-11-6-8-17(10-11)14(18)12-9-15-7-5-13(12)16-4-2/h5,7,9,11H,3-4,6,8,10H2,1-2H3,(H,15,16).
What are the key properties of [4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone?
[4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.39, 4 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-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 113418729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).