(5Z,6Z)-5-(aminomethylidene)-6-[amino(4-thiaspiro[2.5]octan-8-yloxy)methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide

C23H27ClN4O3S — CID 169147347

IUPAC(5Z,6Z)-5-(aminomethylidene)-6-[amino(4-thiaspiro[2.5]octan-8-yloxy)methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc(=C/N)/c1=C(\N)OC1CCCSC12CC2
InChIInChI=1S/C23H27ClN4O3S/c1-28-19(20(26)31-18-3-2-10-32-23(18)8-9-23)15(12-25)11-17(22(28)30)21(29)27-13-14-4-6-16(24)7-5-14/h4-7,11-12,18H,2-3,8-10,13,25-26H2,1H3,(H,27,29)/b15-12-,20-19-
InChIKeyQQOJNVTUCGUFOJ-MTWLZLATSA-N
MW475.01 g/mol
LogP1.13
Rot. Bonds5

About (5Z,6Z)-5-(aminomethylidene)-6-[amino(4-thiaspiro[2.5]octan-8-yloxy)methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide

(5Z,6Z)-5-(aminomethylidene)-6-[amino(4-thiaspiro[2.5]octan-8-yloxy)methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 169147347) has the molecular formula C23H27ClN4O3S and a molecular weight of 475.01 g/mol. Its IUPAC name is (5Z,6Z)-5-(aminomethylidene)-6-[amino(4-thiaspiro[2.5]octan-8-yloxy)methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name(5Z,6Z)-5-(aminomethylidene)-6-[amino(4-thiaspiro[2.5]octan-8-yloxy)methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID169147347
Molecular FormulaC23H27ClN4O3S
Molecular Weight475.01 g/mol
Exact Mass474.15
IUPAC Name(5Z,6Z)-5-(aminomethylidene)-6-[amino(4-thiaspiro[2.5]octan-8-yloxy)methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc(=C/N)/c1=C(\N)OC1CCCSC12CC2
InChIInChI=1S/C23H27ClN4O3S/c1-28-19(20(26)31-18-3-2-10-32-23(18)8-9-23)15(12-25)11-17(22(28)30)21(29)27-13-14-4-6-16(24)7-5-14/h4-7,11-12,18H,2-3,8-10,13,25-26H2,1H3,(H,27,29)/b15-12-,20-19-
InChIKeyQQOJNVTUCGUFOJ-MTWLZLATSA-N
XLogP1.13
TPSA112.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.01
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (5Z,6Z)-5-(aminomethylidene)-6-[amino(4-thiaspiro[2.5]octan-8-yloxy)methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z,6Z)-5-(aminomethylidene)-6-[amino(4-thiaspiro[2.5]octan-8-yloxy)methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of (5Z,6Z)-5-(aminomethylidene)-6-[amino(4-thiaspiro[2.5]octan-8-yloxy)methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 169147347) is (5Z,6Z)-5-(aminomethylidene)-6-[amino(4-thiaspiro[2.5]octan-8-yloxy)methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for (5Z,6Z)-5-(aminomethylidene)-6-[amino(4-thiaspiro[2.5]octan-8-yloxy)methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for (5Z,6Z)-5-(aminomethylidene)-6-[amino(4-thiaspiro[2.5]octan-8-yloxy)methylidene]-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)OC1CCCSC12CC2.
What is the InChIKey of (5Z,6Z)-5-(aminomethylidene)-6-[amino(4-thiaspiro[2.5]octan-8-yloxy)methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is QQOJNVTUCGUFOJ-MTWLZLATSA-N. The full InChI is InChI=1S/C23H27ClN4O3S/c1-28-19(20(26)31-18-3-2-10-32-23(18)8-9-23)15(12-25)11-17(22(28)30)21(29)27-13-14-4-6-16(24)7-5-14/h4-7,11-12,18H,2-3,8-10,13,25-26H2,1H3,(H,27,29)/b15-12-,20-19-.
What are the key properties of (5Z,6Z)-5-(aminomethylidene)-6-[amino(4-thiaspiro[2.5]octan-8-yloxy)methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
(5Z,6Z)-5-(aminomethylidene)-6-[amino(4-thiaspiro[2.5]octan-8-yloxy)methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 475.01 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-5-(aminomethylidene)-6-[amino(4-thiaspiro[2.5]octan-8-yloxy)methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 169147347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).