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

C23H29ClN4O3S — CID 170101642

IUPAC(5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCC(C)SC1(CO/C(N)=c2/c(=C\N)cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2C)CC1
InChIInChI=1S/C23H29ClN4O3S/c1-14(2)32-23(8-9-23)13-31-20(26)19-16(11-25)10-18(22(30)28(19)3)21(29)27-12-15-4-6-17(24)7-5-15/h4-7,10-11,14H,8-9,12-13,25-26H2,1-3H3,(H,27,29)/b16-11-,20-19-
InChIKeyOBTGUZAUUPCPJT-CMLHKUKGSA-N
MW477.03 g/mol
LogP1.38
Rot. Bonds8

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

(5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 170101642) has the molecular formula C23H29ClN4O3S and a molecular weight of 477.03 g/mol. Its IUPAC name is (5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name(5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID170101642
Molecular FormulaC23H29ClN4O3S
Molecular Weight477.03 g/mol
Exact Mass476.16
IUPAC Name(5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCC(C)SC1(CO/C(N)=c2/c(=C\N)cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2C)CC1
InChIInChI=1S/C23H29ClN4O3S/c1-14(2)32-23(8-9-23)13-31-20(26)19-16(11-25)10-18(22(30)28(19)3)21(29)27-12-15-4-6-17(24)7-5-15/h4-7,10-11,14H,8-9,12-13,25-26H2,1-3H3,(H,27,29)/b16-11-,20-19-
InChIKeyOBTGUZAUUPCPJT-CMLHKUKGSA-N
XLogP1.38
TPSA112.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.03
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)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-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of (5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 170101642) is (5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)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-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for (5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide is CC(C)SC1(CO/C(N)=c2/c(=C\N)cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2C)CC1.
What is the InChIKey of (5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is OBTGUZAUUPCPJT-CMLHKUKGSA-N. The full InChI is InChI=1S/C23H29ClN4O3S/c1-14(2)32-23(8-9-23)13-31-20(26)19-16(11-25)10-18(22(30)28(19)3)21(29)27-12-15-4-6-17(24)7-5-15/h4-7,10-11,14H,8-9,12-13,25-26H2,1-3H3,(H,27,29)/b16-11-,20-19-.
What are the key properties of (5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
(5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 477.03 g/mol, XLogP of 1.38, 8 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-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 170101642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).