N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide

C18H24N6O5S — CID 22178641

IUPACN-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCCON=C(N)N)c2=O)cc1
InChIInChI=1S/C18H24N6O5S/c1-12-3-6-14(7-4-12)30(27,28)23-15-8-5-13(2)24(17(15)26)11-16(25)21-9-10-29-22-18(19)20/h3-8,23H,9-11H2,1-2H3,(H,21,25)(H4,19,20,22)
InChIKeyFNHJXZJGWWMDKJ-UHFFFAOYSA-N
MW436.49 g/mol
LogP-0.41
Rot. Bonds9

About N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide

N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide (PubChem CID 22178641) has the molecular formula C18H24N6O5S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
PubChem CID22178641
Molecular FormulaC18H24N6O5S
Molecular Weight436.49 g/mol
Exact Mass436.15
IUPAC NameN-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCCON=C(N)N)c2=O)cc1
InChIInChI=1S/C18H24N6O5S/c1-12-3-6-14(7-4-12)30(27,28)23-15-8-5-13(2)24(17(15)26)11-16(25)21-9-10-29-22-18(19)20/h3-8,23H,9-11H2,1-2H3,(H,21,25)(H4,19,20,22)
InChIKeyFNHJXZJGWWMDKJ-UHFFFAOYSA-N
XLogP-0.41
TPSA170.90 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(4-iodophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 15458228
N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 15887336
N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(4-iodophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide;2,2,2-trifluoroacetic acid
CID 87781778
N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(3-isocyanophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 22949230
N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide;2,2,2-trifluoroacetic acid
CID 87901645
N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-2-oxo-3-[(2,4,6-trimethylphenyl)sulfonylamino]-1-pyridinyl]acetamide;2,2,2-trifluoroacetic acid
CID 87888105
2-[3-[(3-bromophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide;2,2,2-trifluoroacetic acid
CID 87781600
N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(3-methylquinolin-8-yl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 22949241
2-[3-[[4-[(3-chloro-2-cyanophenyl)methyl]phenyl]sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide
CID 59903109
N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(2-methylsulfonylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide;2,2,2-trifluoroacetic acid
CID 22178705
methyl N-[N'-[2-[[2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetyl]amino]ethoxy]carbamimidoyl]carbamate
CID 135966598
CID 158639746
CID 158639746

Frequently Asked Questions

What is the IUPAC name of N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide (CID 22178641) is N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCCON=C(N)N)c2=O)cc1.
What is the InChIKey of N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
The InChIKey is FNHJXZJGWWMDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O5S/c1-12-3-6-14(7-4-12)30(27,28)23-15-8-5-13(2)24(17(15)26)11-16(25)21-9-10-29-22-18(19)20/h3-8,23H,9-11H2,1-2H3,(H,21,25)(H4,19,20,22).
What are the key properties of N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide has a molecular weight of 436.49 g/mol, XLogP of -0.41, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 22178641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).