[4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone

C14H21N3O — CID 109203679

IUPAC[4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCN(CC)c1ccnc(C(=O)N2CCCC2)c1
InChIInChI=1S/C14H21N3O/c1-3-16(4-2)12-7-8-15-13(11-12)14(18)17-9-5-6-10-17/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyBWTPGJMAOXRGNC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.16
Rot. Bonds4

About [4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone

[4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109203679) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109203679
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCN(CC)c1ccnc(C(=O)N2CCCC2)c1
InChIInChI=1S/C14H21N3O/c1-3-16(4-2)12-7-8-15-13(11-12)14(18)17-9-5-6-10-17/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyBWTPGJMAOXRGNC-UHFFFAOYSA-N
XLogP2.16
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204542
[4-[benzyl(ethyl)amino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206409
[4-(dipropylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218091
[4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205094
[4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109215179
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
[4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208139
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109208613
[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204371
N-methyl-N-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]methyl]acetamide
CID 178152323
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615

Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109203679) is [4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone is CCN(CC)c1ccnc(C(=O)N2CCCC2)c1.
What is the InChIKey of [4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is BWTPGJMAOXRGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-16(4-2)12-7-8-15-13(11-12)14(18)17-9-5-6-10-17/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of [4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109203679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).