(5S)-5-ethyl-5-methyl-3-[3-[(3-nitro-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione

C14H19N5O4 — CID 97212775

IUPAC(5S)-5-ethyl-5-methyl-3-[3-[(3-nitro-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione
SMILESCC[C@]1(C)NC(=O)N(CCCNc2ncccc2[N+](=O)[O-])C1=O
InChIInChI=1S/C14H19N5O4/c1-3-14(2)12(20)18(13(21)17-14)9-5-8-16-11-10(19(22)23)6-4-7-15-11/h4,6-7H,3,5,8-9H2,1-2H3,(H,15,16)(H,17,21)/t14-/m0/s1
InChIKeyIRNVWPSYOCZDCQ-AWEZNQCLSA-N
MW321.34 g/mol
LogP1.51
Rot. Bonds7

About (5S)-5-ethyl-5-methyl-3-[3-[(3-nitro-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione

(5S)-5-ethyl-5-methyl-3-[3-[(3-nitro-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione (PubChem CID 97212775) has the molecular formula C14H19N5O4 and a molecular weight of 321.34 g/mol. Its IUPAC name is (5S)-5-ethyl-5-methyl-3-[3-[(3-nitro-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-ethyl-5-methyl-3-[3-[(3-nitro-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione
PubChem CID97212775
Molecular FormulaC14H19N5O4
Molecular Weight321.34 g/mol
Exact Mass321.14
IUPAC Name(5S)-5-ethyl-5-methyl-3-[3-[(3-nitro-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione
SMILESCC[C@]1(C)NC(=O)N(CCCNc2ncccc2[N+](=O)[O-])C1=O
InChIInChI=1S/C14H19N5O4/c1-3-14(2)12(20)18(13(21)17-14)9-5-8-16-11-10(19(22)23)6-4-7-15-11/h4,6-7H,3,5,8-9H2,1-2H3,(H,15,16)(H,17,21)/t14-/m0/s1
InChIKeyIRNVWPSYOCZDCQ-AWEZNQCLSA-N
XLogP1.51
TPSA117.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5S)-5-ethyl-5-methyl-3-[3-[(3-nitro-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

(5S)-3-[3-[(3-chloro-2-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 97320316
3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 112684451
3-[3-[(5-chloro-2-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 75374277
N-(3-nitro-2-pyridinyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 52664309
3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride
CID 71299310
3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 61068526
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
N-[3-(methoxymethoxy)propyl]-3-nitropyridin-2-amine
CID 125423794
3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine
CID 11361048
N-[2-(4-ethylphenyl)ethyl]-3-nitropyridin-2-amine
CID 133304898
N'-ethyl-N-(3-nitro-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 133275460
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 112549966

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-5-methyl-3-[3-[(3-nitro-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-ethyl-5-methyl-3-[3-[(3-nitro-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione (CID 97212775) is (5S)-5-ethyl-5-methyl-3-[3-[(3-nitro-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-ethyl-5-methyl-3-[3-[(3-nitro-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-ethyl-5-methyl-3-[3-[(3-nitro-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione is CC[C@]1(C)NC(=O)N(CCCNc2ncccc2[N+](=O)[O-])C1=O.
What is the InChIKey of (5S)-5-ethyl-5-methyl-3-[3-[(3-nitro-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione?
The InChIKey is IRNVWPSYOCZDCQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19N5O4/c1-3-14(2)12(20)18(13(21)17-14)9-5-8-16-11-10(19(22)23)6-4-7-15-11/h4,6-7H,3,5,8-9H2,1-2H3,(H,15,16)(H,17,21)/t14-/m0/s1.
What are the key properties of (5S)-5-ethyl-5-methyl-3-[3-[(3-nitro-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione?
(5S)-5-ethyl-5-methyl-3-[3-[(3-nitro-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione has a molecular weight of 321.34 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-5-methyl-3-[3-[(3-nitro-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 97212775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).