3-[2-(diethylamino)-4-pyridinyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]propanamide

C20H35N5O — CID 53186190

IUPAC3-[2-(diethylamino)-4-pyridinyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]propanamide
SMILESCCN1CCN(CCNC(=O)CCc2ccnc(N(CC)CC)c2)CC1
InChIInChI=1S/C20H35N5O/c1-4-23-13-15-24(16-14-23)12-11-22-20(26)8-7-18-9-10-21-19(17-18)25(5-2)6-3/h9-10,17H,4-8,11-16H2,1-3H3,(H,22,26)
InChIKeyLFQJBAGADLXALB-UHFFFAOYSA-N
MW361.53 g/mol
LogP1.61
Rot. Bonds10

About 3-[2-(diethylamino)-4-pyridinyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]propanamide

3-[2-(diethylamino)-4-pyridinyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]propanamide (PubChem CID 53186190) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is 3-[2-(diethylamino)-4-pyridinyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[2-(diethylamino)-4-pyridinyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]propanamide
PubChem CID53186190
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC Name3-[2-(diethylamino)-4-pyridinyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]propanamide
SMILESCCN1CCN(CCNC(=O)CCc2ccnc(N(CC)CC)c2)CC1
InChIInChI=1S/C20H35N5O/c1-4-23-13-15-24(16-14-23)12-11-22-20(26)8-7-18-9-10-21-19(17-18)25(5-2)6-3/h9-10,17H,4-8,11-16H2,1-3H3,(H,22,26)
InChIKeyLFQJBAGADLXALB-UHFFFAOYSA-N
XLogP1.61
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(diethylamino)-4-pyridinyl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 53186109
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186075
N-(1-benzylpiperidin-4-yl)-3-[2-(diethylamino)-4-pyridinyl]propanamide
CID 53186096
3-[2-(diethylamino)-4-pyridinyl]-N-(2,4-dimethylphenyl)propanamide
CID 53186108
3-[2-(diethylamino)-4-pyridinyl]-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 53186183
3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 53186113
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
N-[2-(dimethylamino)ethyl]-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 53185944
N-ethyl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 83273482
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 39963411
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide
CID 49172277
3-(1,3-benzodioxol-5-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 43066995

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)-4-pyridinyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]propanamide?
The IUPAC name of 3-[2-(diethylamino)-4-pyridinyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]propanamide (CID 53186190) is 3-[2-(diethylamino)-4-pyridinyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-[2-(diethylamino)-4-pyridinyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-[2-(diethylamino)-4-pyridinyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]propanamide is CCN1CCN(CCNC(=O)CCc2ccnc(N(CC)CC)c2)CC1.
What is the InChIKey of 3-[2-(diethylamino)-4-pyridinyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]propanamide?
The InChIKey is LFQJBAGADLXALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O/c1-4-23-13-15-24(16-14-23)12-11-22-20(26)8-7-18-9-10-21-19(17-18)25(5-2)6-3/h9-10,17H,4-8,11-16H2,1-3H3,(H,22,26).
What are the key properties of 3-[2-(diethylamino)-4-pyridinyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]propanamide?
3-[2-(diethylamino)-4-pyridinyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]propanamide has a molecular weight of 361.53 g/mol, XLogP of 1.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)-4-pyridinyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 53186190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).