(5Z,6Z)-6-[amino-[[1-(hydroxyamino)sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide

C20H24ClN5O4S — CID 169147513

IUPAC(5Z,6Z)-6-[amino-[[1-(hydroxyamino)sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc(=C/N)/c1=C(\N)OCC1(SNO)CC1
InChIInChI=1S/C20H24ClN5O4S/c1-26-16(17(23)30-11-20(6-7-20)31-25-29)13(9-22)8-15(19(26)28)18(27)24-10-12-2-4-14(21)5-3-12/h2-5,8-9,25,29H,6-7,10-11,22-23H2,1H3,(H,24,27)/b13-9-,17-16-
InChIKeyPIYZLGVQLICFIC-YGROJOGNSA-N
MW465.96 g/mol
LogP-0.13
Rot. Bonds8

About (5Z,6Z)-6-[amino-[[1-(hydroxyamino)sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide

(5Z,6Z)-6-[amino-[[1-(hydroxyamino)sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 169147513) has the molecular formula C20H24ClN5O4S and a molecular weight of 465.96 g/mol. Its IUPAC name is (5Z,6Z)-6-[amino-[[1-(hydroxyamino)sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name(5Z,6Z)-6-[amino-[[1-(hydroxyamino)sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID169147513
Molecular FormulaC20H24ClN5O4S
Molecular Weight465.96 g/mol
Exact Mass465.12
IUPAC Name(5Z,6Z)-6-[amino-[[1-(hydroxyamino)sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc(=C/N)/c1=C(\N)OCC1(SNO)CC1
InChIInChI=1S/C20H24ClN5O4S/c1-26-16(17(23)30-11-20(6-7-20)31-25-29)13(9-22)8-15(19(26)28)18(27)24-10-12-2-4-14(21)5-3-12/h2-5,8-9,25,29H,6-7,10-11,22-23H2,1H3,(H,24,27)/b13-9-,17-16-
InChIKeyPIYZLGVQLICFIC-YGROJOGNSA-N
XLogP-0.13
TPSA144.63 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 5-0.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,6Z)-6-[amino-[[1-(hydroxyamino)sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of (5Z,6Z)-6-[amino-[[1-(hydroxyamino)sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 169147513) is (5Z,6Z)-6-[amino-[[1-(hydroxyamino)sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for (5Z,6Z)-6-[amino-[[1-(hydroxyamino)sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for (5Z,6Z)-6-[amino-[[1-(hydroxyamino)sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide is Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc(=C/N)/c1=C(\N)OCC1(SNO)CC1.
What is the InChIKey of (5Z,6Z)-6-[amino-[[1-(hydroxyamino)sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is PIYZLGVQLICFIC-YGROJOGNSA-N. The full InChI is InChI=1S/C20H24ClN5O4S/c1-26-16(17(23)30-11-20(6-7-20)31-25-29)13(9-22)8-15(19(26)28)18(27)24-10-12-2-4-14(21)5-3-12/h2-5,8-9,25,29H,6-7,10-11,22-23H2,1H3,(H,24,27)/b13-9-,17-16-.
What are the key properties of (5Z,6Z)-6-[amino-[[1-(hydroxyamino)sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
(5Z,6Z)-6-[amino-[[1-(hydroxyamino)sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 465.96 g/mol, XLogP of -0.13, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-6-[amino-[[1-(hydroxyamino)sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 169147513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).