4-[amino(ethyl)amino]-5-ethyl-2-methylcyclohexa-2,4-dien-1-one;1-(6-chloro-2-ethyl-5-methyl-3-pyridinyl)-1-ethylhydrazine

C21H34ClN5O — CID 159748654

IUPAC4-[amino(ethyl)amino]-5-ethyl-2-methylcyclohexa-2,4-dien-1-one;1-(6-chloro-2-ethyl-5-methyl-3-pyridinyl)-1-ethylhydrazine
SMILESCCC1=C(N(N)CC)C=C(C)C(=O)C1.CCc1nc(Cl)c(C)cc1N(N)CC
InChIInChI=1S/C11H18N2O.C10H16ClN3/c1-4-9-7-11(14)8(3)6-10(9)13(12)5-2;1-4-8-9(14(12)5-2)6-7(3)10(11)13-8/h6H,4-5,7,12H2,1-3H3;6H,4-5,12H2,1-3H3
InChIKeyNDJIQWUUDAGCGK-UHFFFAOYSA-N
MW407.99 g/mol
LogP4.07
Rot. Bonds6

About 4-[amino(ethyl)amino]-5-ethyl-2-methylcyclohexa-2,4-dien-1-one;1-(6-chloro-2-ethyl-5-methyl-3-pyridinyl)-1-ethylhydrazine

4-[amino(ethyl)amino]-5-ethyl-2-methylcyclohexa-2,4-dien-1-one;1-(6-chloro-2-ethyl-5-methyl-3-pyridinyl)-1-ethylhydrazine (PubChem CID 159748654) has the molecular formula C21H34ClN5O and a molecular weight of 407.99 g/mol. Its IUPAC name is 4-[amino(ethyl)amino]-5-ethyl-2-methylcyclohexa-2,4-dien-1-one;1-(6-chloro-2-ethyl-5-methyl-3-pyridinyl)-1-ethylhydrazine.

Molecular Properties

Compound Name4-[amino(ethyl)amino]-5-ethyl-2-methylcyclohexa-2,4-dien-1-one;1-(6-chloro-2-ethyl-5-methyl-3-pyridinyl)-1-ethylhydrazine
PubChem CID159748654
Molecular FormulaC21H34ClN5O
Molecular Weight407.99 g/mol
Exact Mass407.25
IUPAC Name4-[amino(ethyl)amino]-5-ethyl-2-methylcyclohexa-2,4-dien-1-one;1-(6-chloro-2-ethyl-5-methyl-3-pyridinyl)-1-ethylhydrazine
SMILESCCC1=C(N(N)CC)C=C(C)C(=O)C1.CCc1nc(Cl)c(C)cc1N(N)CC
InChIInChI=1S/C11H18N2O.C10H16ClN3/c1-4-9-7-11(14)8(3)6-10(9)13(12)5-2;1-4-8-9(14(12)5-2)6-7(3)10(11)13-8/h6H,4-5,7,12H2,1-3H3;6H,4-5,12H2,1-3H3
InChIKeyNDJIQWUUDAGCGK-UHFFFAOYSA-N
XLogP4.07
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.99
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[amino(ethyl)amino]-5-ethyl-2-methylcyclohexa-2,4-dien-1-one;1-(6-chloro-2-ethyl-5-methyl-3-pyridinyl)-1-ethylhydrazine?
The IUPAC name of 4-[amino(ethyl)amino]-5-ethyl-2-methylcyclohexa-2,4-dien-1-one;1-(6-chloro-2-ethyl-5-methyl-3-pyridinyl)-1-ethylhydrazine (CID 159748654) is 4-[amino(ethyl)amino]-5-ethyl-2-methylcyclohexa-2,4-dien-1-one;1-(6-chloro-2-ethyl-5-methyl-3-pyridinyl)-1-ethylhydrazine.
What is the SMILES notation for 4-[amino(ethyl)amino]-5-ethyl-2-methylcyclohexa-2,4-dien-1-one;1-(6-chloro-2-ethyl-5-methyl-3-pyridinyl)-1-ethylhydrazine?
The canonical SMILES for 4-[amino(ethyl)amino]-5-ethyl-2-methylcyclohexa-2,4-dien-1-one;1-(6-chloro-2-ethyl-5-methyl-3-pyridinyl)-1-ethylhydrazine is CCC1=C(N(N)CC)C=C(C)C(=O)C1.CCc1nc(Cl)c(C)cc1N(N)CC.
What is the InChIKey of 4-[amino(ethyl)amino]-5-ethyl-2-methylcyclohexa-2,4-dien-1-one;1-(6-chloro-2-ethyl-5-methyl-3-pyridinyl)-1-ethylhydrazine?
The InChIKey is NDJIQWUUDAGCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.C10H16ClN3/c1-4-9-7-11(14)8(3)6-10(9)13(12)5-2;1-4-8-9(14(12)5-2)6-7(3)10(11)13-8/h6H,4-5,7,12H2,1-3H3;6H,4-5,12H2,1-3H3.
What are the key properties of 4-[amino(ethyl)amino]-5-ethyl-2-methylcyclohexa-2,4-dien-1-one;1-(6-chloro-2-ethyl-5-methyl-3-pyridinyl)-1-ethylhydrazine?
4-[amino(ethyl)amino]-5-ethyl-2-methylcyclohexa-2,4-dien-1-one;1-(6-chloro-2-ethyl-5-methyl-3-pyridinyl)-1-ethylhydrazine has a molecular weight of 407.99 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(ethyl)amino]-5-ethyl-2-methylcyclohexa-2,4-dien-1-one;1-(6-chloro-2-ethyl-5-methyl-3-pyridinyl)-1-ethylhydrazine is sourced from PubChem (CID 159748654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).