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

C23H27ClN4O4S — CID 169147240

IUPAC(5Z,6Z)-5-(aminomethylidene)-6-[amino-[[1-(oxetan-3-ylsulfanyl)cyclopropyl]methoxy]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)OCC1(SC2COC2)CC1
InChIInChI=1S/C23H27ClN4O4S/c1-28-19(20(26)32-13-23(6-7-23)33-17-11-31-12-17)15(9-25)8-18(22(28)30)21(29)27-10-14-2-4-16(24)5-3-14/h2-5,8-9,17H,6-7,10-13,25-26H2,1H3,(H,27,29)/b15-9-,20-19-
InChIKeyKHWVABBSXBWUDX-RBVZTRIESA-N
MW491.01 g/mol
LogP0.37
Rot. Bonds8

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

(5Z,6Z)-5-(aminomethylidene)-6-[amino-[[1-(oxetan-3-ylsulfanyl)cyclopropyl]methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 169147240) has the molecular formula C23H27ClN4O4S and a molecular weight of 491.01 g/mol. Its IUPAC name is (5Z,6Z)-5-(aminomethylidene)-6-[amino-[[1-(oxetan-3-ylsulfanyl)cyclopropyl]methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name(5Z,6Z)-5-(aminomethylidene)-6-[amino-[[1-(oxetan-3-ylsulfanyl)cyclopropyl]methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID169147240
Molecular FormulaC23H27ClN4O4S
Molecular Weight491.01 g/mol
Exact Mass490.14
IUPAC Name(5Z,6Z)-5-(aminomethylidene)-6-[amino-[[1-(oxetan-3-ylsulfanyl)cyclopropyl]methoxy]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)OCC1(SC2COC2)CC1
InChIInChI=1S/C23H27ClN4O4S/c1-28-19(20(26)32-13-23(6-7-23)33-17-11-31-12-17)15(9-25)8-18(22(28)30)21(29)27-10-14-2-4-16(24)5-3-14/h2-5,8-9,17H,6-7,10-13,25-26H2,1H3,(H,27,29)/b15-9-,20-19-
InChIKeyKHWVABBSXBWUDX-RBVZTRIESA-N
XLogP0.37
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.01
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (5Z,6Z)-5-(aminomethylidene)-6-[amino-[[1-(oxetan-3-ylsulfanyl)cyclopropyl]methoxy]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-[[1-(oxetan-3-ylsulfanyl)cyclopropyl]methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of (5Z,6Z)-5-(aminomethylidene)-6-[amino-[[1-(oxetan-3-ylsulfanyl)cyclopropyl]methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 169147240) is (5Z,6Z)-5-(aminomethylidene)-6-[amino-[[1-(oxetan-3-ylsulfanyl)cyclopropyl]methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for (5Z,6Z)-5-(aminomethylidene)-6-[amino-[[1-(oxetan-3-ylsulfanyl)cyclopropyl]methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for (5Z,6Z)-5-(aminomethylidene)-6-[amino-[[1-(oxetan-3-ylsulfanyl)cyclopropyl]methoxy]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)OCC1(SC2COC2)CC1.
What is the InChIKey of (5Z,6Z)-5-(aminomethylidene)-6-[amino-[[1-(oxetan-3-ylsulfanyl)cyclopropyl]methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is KHWVABBSXBWUDX-RBVZTRIESA-N. The full InChI is InChI=1S/C23H27ClN4O4S/c1-28-19(20(26)32-13-23(6-7-23)33-17-11-31-12-17)15(9-25)8-18(22(28)30)21(29)27-10-14-2-4-16(24)5-3-14/h2-5,8-9,17H,6-7,10-13,25-26H2,1H3,(H,27,29)/b15-9-,20-19-.
What are the key properties of (5Z,6Z)-5-(aminomethylidene)-6-[amino-[[1-(oxetan-3-ylsulfanyl)cyclopropyl]methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
(5Z,6Z)-5-(aminomethylidene)-6-[amino-[[1-(oxetan-3-ylsulfanyl)cyclopropyl]methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 491.01 g/mol, XLogP of 0.37, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-5-(aminomethylidene)-6-[amino-[[1-(oxetan-3-ylsulfanyl)cyclopropyl]methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 169147240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).