3-[3-[(5-chloro-2-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione

C14H19ClN4O2 — CID 75374277

IUPAC3-[3-[(5-chloro-2-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(CCCNc2ccc(Cl)cn2)C1=O
InChIInChI=1S/C14H19ClN4O2/c1-3-14(2)12(20)19(13(21)18-14)8-4-7-16-11-6-5-10(15)9-17-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)(H,18,21)
InChIKeyOYTGXQXTDCSMFE-UHFFFAOYSA-N
MW310.79 g/mol
LogP2.26
Rot. Bonds6

About 3-[3-[(5-chloro-2-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione

3-[3-[(5-chloro-2-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 75374277) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 3-[3-[(5-chloro-2-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[(5-chloro-2-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID75374277
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name3-[3-[(5-chloro-2-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(CCCNc2ccc(Cl)cn2)C1=O
InChIInChI=1S/C14H19ClN4O2/c1-3-14(2)12(20)19(13(21)18-14)8-4-7-16-11-6-5-10(15)9-17-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)(H,18,21)
InChIKeyOYTGXQXTDCSMFE-UHFFFAOYSA-N
XLogP2.26
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-3-[3-[(3-chloro-2-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 97320316
5-ethyl-3-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione
CID 62207321
(5S)-5-ethyl-5-methyl-3-[3-[(3-nitro-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione
CID 97212775
3-chloro-5-[3-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylamino]-1,2-thiazole-4-carbonitrile
CID 97212772
3-chloro-5-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propylamino]-1,2-thiazole-4-carbonitrile
CID 75371023
3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea
CID 99122564
N-[3-[(5-chloro-2-pyridinyl)amino]propyl]methanesulfonamide
CID 103704919
5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 62993016
3-[(5-chloro-2-pyridinyl)amino]propan-1-ol
CID 29043106
5-ethyl-3-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 103057107
3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 32651025
3-[2-(4-chlorophenyl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 60623068

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-chloro-2-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-[(5-chloro-2-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione (CID 75374277) is 3-[3-[(5-chloro-2-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[(5-chloro-2-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[(5-chloro-2-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione is CCC1(C)NC(=O)N(CCCNc2ccc(Cl)cn2)C1=O.
What is the InChIKey of 3-[3-[(5-chloro-2-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is OYTGXQXTDCSMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-3-14(2)12(20)19(13(21)18-14)8-4-7-16-11-6-5-10(15)9-17-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)(H,18,21).
What are the key properties of 3-[3-[(5-chloro-2-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
3-[3-[(5-chloro-2-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 310.79 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5-chloro-2-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 75374277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).