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

C23H26F2N4O3S — CID 169147150

IUPAC(5Z,6Z)-6-[amino-[(1-cyclopropylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(3,4-difluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccc(F)c(F)c2)cc(=C/N)/c1=C(\N)OCC1(SC2CC2)CC1
InChIInChI=1S/C23H26F2N4O3S/c1-29-19(20(27)32-12-23(6-7-23)33-15-3-4-15)14(10-26)9-16(22(29)31)21(30)28-11-13-2-5-17(24)18(25)8-13/h2,5,8-10,15H,3-4,6-7,11-12,26-27H2,1H3,(H,28,30)/b14-10-,20-19-
InChIKeyKVFOTVWGYKVRDJ-SZANLFGTSA-N
MW476.55 g/mol
LogP0.76
Rot. Bonds8

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

(5Z,6Z)-6-[amino-[(1-cyclopropylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(3,4-difluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 169147150) has the molecular formula C23H26F2N4O3S and a molecular weight of 476.55 g/mol. Its IUPAC name is (5Z,6Z)-6-[amino-[(1-cyclopropylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(3,4-difluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name(5Z,6Z)-6-[amino-[(1-cyclopropylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(3,4-difluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID169147150
Molecular FormulaC23H26F2N4O3S
Molecular Weight476.55 g/mol
Exact Mass476.17
IUPAC Name(5Z,6Z)-6-[amino-[(1-cyclopropylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(3,4-difluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccc(F)c(F)c2)cc(=C/N)/c1=C(\N)OCC1(SC2CC2)CC1
InChIInChI=1S/C23H26F2N4O3S/c1-29-19(20(27)32-12-23(6-7-23)33-15-3-4-15)14(10-26)9-16(22(29)31)21(30)28-11-13-2-5-17(24)18(25)8-13/h2,5,8-10,15H,3-4,6-7,11-12,26-27H2,1H3,(H,28,30)/b14-10-,20-19-
InChIKeyKVFOTVWGYKVRDJ-SZANLFGTSA-N
XLogP0.76
TPSA112.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (5Z,6Z)-6-[amino-[(1-cyclopropylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(3,4-difluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z,6Z)-6-[amino-[(1-cyclopropylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(3,4-difluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of (5Z,6Z)-6-[amino-[(1-cyclopropylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(3,4-difluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 169147150) is (5Z,6Z)-6-[amino-[(1-cyclopropylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(3,4-difluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for (5Z,6Z)-6-[amino-[(1-cyclopropylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(3,4-difluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for (5Z,6Z)-6-[amino-[(1-cyclopropylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(3,4-difluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide is Cn1c(=O)c(C(=O)NCc2ccc(F)c(F)c2)cc(=C/N)/c1=C(\N)OCC1(SC2CC2)CC1.
What is the InChIKey of (5Z,6Z)-6-[amino-[(1-cyclopropylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(3,4-difluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is KVFOTVWGYKVRDJ-SZANLFGTSA-N. The full InChI is InChI=1S/C23H26F2N4O3S/c1-29-19(20(27)32-12-23(6-7-23)33-15-3-4-15)14(10-26)9-16(22(29)31)21(30)28-11-13-2-5-17(24)18(25)8-13/h2,5,8-10,15H,3-4,6-7,11-12,26-27H2,1H3,(H,28,30)/b14-10-,20-19-.
What are the key properties of (5Z,6Z)-6-[amino-[(1-cyclopropylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(3,4-difluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
(5Z,6Z)-6-[amino-[(1-cyclopropylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(3,4-difluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 476.55 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-6-[amino-[(1-cyclopropylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(3,4-difluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 169147150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).